A multidisciplinary, #openaccess journal devoted to the application and development of #machinelearning for the sciences. Published by @IOPPublishing.
Bristol, UK
- Tweets 5,262
- Following 9,551
- Followers 9,494
- Likes 4,387
We are now on Bluesky!
Follow our account @iopp-mlresearch.bsky.social on Bluesky for more #MachineLearning and #AI research
1
7
1,057
BIG NEWS! We're delighted to announce @KyleCranmer @datascience_uw @UWMadison as our new Editor-in-Chief!😀A huge thanks to @ProfvLilienfeld for your amazing job as EiC over the last 4yrs👏- we're super happy that you'll remain on our Ed Board! #machinelearning #compchem #HEP #AI
7
26
149
Great new work by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc - '#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries...' - bit.ly/3rPRHvn #fluids #compchem #dynamics
39
134
'#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc now hits 3000 downloads! bit.ly/3mLWxX1 #compchem #opendata #AI
38
129
'#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc hits 1500 downloads! bit.ly/3mLWxX1 #compchem #fluiddynamics #AI
30
122
NOW >16K DOWNLOADS!🥳'#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc bit.ly/3mLWxX1 #compchem #AI #dynamics #HPC
18
103
14,431
@MLSTjournal is now ranked in Q1 of the JCR with a first IF of 6.013. Thanks to all of our Board members, authors and supporters for making this happen - we look forward to serving the #machinelearning community for years to come! #AI #compchem #quantum #materials #compphys #HEP
1
10
72
Yet another new milestone: 'Prediction of chemical reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBunibern @IBMResearch now hits 7000 downloads! bit.ly/31CAbMI #machinelearning #compchem #Bioinformatics #bigdata #AI
2
25
62
Don't miss this #openaccess Roadmap on '#MachineLearning in #ElectronicStructure' in @IOPPublishing's 'Electronic Structure' featuring @FrankNoeBerlin @itamblyn @JWestermayr @reinimau @olexandr @joergbeh @MicheleCeriotti and many more! bit.ly/3pcLV4H #compchem #condmat
18
52
NOW >7000 DOWNLOADS!🥳'#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc bit.ly/3mLWxX1 #compchem #AI #dynamics #HPC
11
51
'Automatic differentiation to simultaneously identify #nonlinear #dynamics and....' by @eigensteve Kadierdan Kaheman and J Nathan Kutz @UW @ME_at_UW @uwengineering @uwescience hits 1000 downloads! bit.ly/3CniLFk #machinelearning #AI #noise #openscience #networks #HPC
12
47
We've just passed 4000 followers🥳!Thanks to all of our supporters including Board members @ProfvLilienfeld @A_Aspuru_Guzik @zdeborova @KyleCranmer @gppcarleo @corminboeuf_lab @ElenaCuoco @FrankNoeBerlin @LucasLamata @cosmo_shirley @xmpierinix @tristanbereau
#machinelearning #AI
1
9
47
Great new work by @A_Aspuru_Guzik @MarioKrenn6240 @akshat_ai @UofTCompSci @VectorInst @CIFAR_News @MPI_Light @Stanford - 'Curiosity in exploring chemical spaces: intrinsic rewards for molecular #reinforcementlearning'- bit.ly/3cHO9pe #compchem #AI #machinelearning #HPC
17
46
Hello Twitter! Introducing Machine Learning: Science and Technology @IOPPublishing ow.ly/BwYq50wFA08 #MachineLearning #openaccess
1
15
44
'Curiosity in exploring chemical spaces: intrinsic rewards for molecular #reinforcementlearning' by @A_Aspuru_Guzik @MarioKrenn6240 @akshat_ai @UofTCompSci @VectorInst @CIFAR_News @MPI_Light @Stanford hits 1500 downloads!bit.ly/3cHO9pe #compchem #machinelearning #HPC #AI
1
9
48
Great new work by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBunibern @IBMResearch - 'Prediction of chemical reaction yields using #deeplearning' - bit.ly/31CAbMI #machinelearning #compchem #drugdiscovery #AI #bigdata #NLP #neuralnetworks
22
43
Another milestone for @MLSTjournal - we've just passed 7K followers!🥳Thanks again to all of our Board members and supporters! @KyleCranmer @A_Aspuru_Guzik @ProfvLilienfeld @gppcarleo @corminboeuf_lab @zdeborova @ElenaCuoco @FrankNoeBerlin @keeeto2000
#compchem #machinelearning
2
6
46
10,368
We've just passed 5000 followers!🥳Huge thanks to all of our supporters including Board members @ProfvLilienfeld @A_Aspuru_Guzik @gppcarleo @FrankNoeBerlin @zdeborova @ElenaCuoco @LucasLamata @KyleCranmer @cosmo_shirley @ramav_matsci @corminboeuf_lab #machinelearning #compchem
5
44
Read this great new Perspective in @MLSTjournal by @JWestermayr and @marquetand @theo_chem @MoltagDK - 'Machine learning and excited-state molecular dynamics' - bit.ly/2EdwapQ #compchem #MachineLearning #DeepLearning #bigdata #openaccess #quantum
25
44
More great work by @eigensteve Eurika Kaiser and J Nathan Kutz @UW @ME_at_UW @uwengineering - 'Data-driven discovery of #Koopman eigenfunctions for control' - bit.ly/35t8ecg #machinelearning #dynamics #bigdata #datascience #engineering #AI #nonlineardynamics #fluids
13
43
Great work by @A_Aspuru_Guzik @MarioKrenn6240 @florian_hase @P_Friederich and @akshat_ai @UofT @VectorInst @KITKarlsruhe @CIFAR_News - 'Self-referencing embedded strings (SELFIES): A 100% robust molecular.......' - bit.ly/3p3KdkH #compchem #machinelearning #AI #bigdata
13
43
Submit to us in 2020 and pay no #openaccess charges! Board members include @ProfvLilienfeld @A_Aspuru_Guzik @gppcarleo @KyleCranmer @ElenaCuoco @corminboeuf_lab @FrankNoeBerlin @cosmo_shirley @jhhalverson @LucasLamata @olexandr @xmpierinix @eunahkim #compchem #MachineLearning
19
39
We're thrilled to announce that MLST has been accepted for indexing in Scopus and Web of Science Core Collection. This achievement recognises its high editorial standards and impactful research publications. Visit the journal homepage for more information: ow.ly/Y15G50EZHPD
4
42
Great new work by @PeteWirnsberger @gpapamak @BlundellCharles B Ibarz, S Racanière, A J Ballard and A Pritzel @DeepMind - 'Normalizing flows for atomic solids' - bit.ly/3PqmHeJ #machinelearning #statphys #flows #materials #moleculardynamics #openscience #dynamics #AI
13
44
NOW >13,000 DOWNLOADS!🥳'Prediction of chemical #reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBPunibern @IBMResearch bit.ly/31CAbMI #machinelearning #compchem #DFT #Bioinformatics #AI #openscience #Python #compbio
13
39
Another new milestone: 'Graph #neuralnetworks in #particlephysics' by @vlimant @PeterWBattaglia and Jonathan Shlomi @WeizmannScience @Caltech @DeepMind now hits 6000 downloads! bit.ly/3bmxt3R #machinelearning #HEP #deeplearning #bigdata #graphs #LHC #HPC #standardmodel
10
41
As we celebrate our first anniversary on Twitter we've just passed 2000 followers! Thanks to our supporters and Board members including @ProfvLilienfeld @A_Aspuru_Guzik @gppcarleo @KyleCranmer @ElenaCuoco @FrankNoeBerlin @cosmo_shirley @LucasLamata #MachineLearning #openaccess
8
41
NOW >4000 DOWNLOADS!🥳'Data-driven discovery of #Koopman eigenfunctions for #control' by @eigensteve Eurika Kaiser and J Nathan Kutz @UW @ME_at_UW @uwengineering @uwescience @AFResearchLab bit.ly/35t8ecg #machinelearning #dynamics #fluids #nonlinear #AI #HPC #openscience
11
40
NOW >10,000 DOWNLOADS!🥳'Prediction of chemical reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBPunibern @IBMResearch
bit.ly/31CAbMI #machinelearning #compchem #DFT #Bioinformatics #AI #opendata #openscience #organic
11
37
Another milestone: 'Data-driven discovery of #Koopman eigenfunctions for #control' by @eigensteve Eurika Kaiser and J Nathan Kutz @UW @ME_at_UW @uwengineering @uwescience @AFResearchLab hits 2000 downloads! bit.ly/35t8ecg #machinelearning #dynamics #datascience #opendata
13
39
Great new work by @P_Friederich @A_Aspuru_Guzik @MarioKrenn6240 and @itamblyn @VectorInst @NRC_CNRC @UofT @CIFAR_News - 'Scientific intuition inspired by #machinelearning-generated hypotheses' - bit.ly/2OPwVL4 #quantum #compchem #materials #neuralnetworks #AI #bigdata
15
35
'Self-referencing embedded strings (SELFIES): A 100% robust molecular ..........' by @A_Aspuru_Guzik @MarioKrenn6240 @florian_hase @P_Friederich and @akshat_ai @UofT @VectorInst @KITKarlsruhe @CIFAR_News hits 1000 downloads! bit.ly/2IGopuo #compchem #MachineLearning
15
39
'Generating stable molecules using imitation and #reinforcementlearning' by @FrankNoeBerlin @Bjork_Hammer @jonkhler @HenrikLundMort1 et al @FU_Berlin @NatSci_AU @AIntercat @DeepMind hits 500 downloads! bit.ly/3pDUFjO #compchem #machinelearning #quantum #neuralnetworks
6
37
Read this great new work by @ProfvLilienfeld and @AndersSChristen @nccr_marvel - 'On the role of gradients for machine learning of molecular energies and forces' - bit.ly/3dX9bNs #MachineLearning #compchem #quantum #BigData #OpenAccess
1
23
35
Yet another new milestone: 'Prediction of chemical reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBunibern @IBMResearch now hits 8000 downloads! bit.ly/31CAbMI #machinelearning #compchem #Bioinformatics #NLP #opendata
1
14
33
NOW >10K DOWNLOADS!🥳'#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc bit.ly/3mLWxX1 #compchem #AI #dynamics #HPC
3
33
NOW >16,000 DOWNLOADS!🥳'Prediction of chemical #reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBPunibern @IBMResearch bit.ly/31CAbMI #machinelearning #compchem #DFT #Bioinformatics #AI #openscience #Python #compbio
12
31
'#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc hits 1000 downloads in 6 days! - bit.ly/3rPRHvn #fluids #compchem
7
34
NOW >6000 DOWNLOADS!🥳 '#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc bit.ly/3mLWxX1 #compchem #AI #dynamics
14
34
NOW >3K DOWNLOADS!🥳'Automatic differentiation to simultaneously identify #nonlinear #dynamics and....' by @eigensteve Kadierdan Kaheman and J Nathan Kutz @UW @ME_at_UW @uwengineering @uwescience - bit.ly/3CniLFk #machinelearning #AI #noise #control #neuralnetworks #HPC
10
35
10,125
'Deep molecular dreaming: inverse #machinelearning for de-novo #moleculardesign...' by @cynt_sh @A_Aspuru_Guzik @MarioKrenn6240 @EppelSagi @VectorInst @UofTCompSci @chemuoft @CIFAR_News now hits 1500 downloads! bit.ly/36rX7R8 #compchem #neuralnetworks #opendata #AI
1
11
31
Top 10 #mostread @MLSTjournal articles in 2021 - #3 with 7033 downloads! 'Graph #neuralnetworks in #particlephysics' by @vlimant @PeterWBattaglia and Jonathan Shlomi @WeizmannScience @Caltech @DeepMind bit.ly/3bmxt3R #machinelearning #HEP #deeplearning #bigdata #graphs
10
34
'Graph neural networks in particle physics' by @vlimant @PeterWBattaglia and Jonathan Shlomi @WeizmannScience @Caltech @DeepMind hits 1000 downloads! #Openaccess at bit.ly/3bmxt3R #machinelearning #HEP #deeplearning #particlephysics #graphneuralnetwork #NeuralNetworks
11
34
'Machine learning the computational cost of quantum chemistry' by @ProfvLilienfeld @MaxSchwilk and co-workers @nccr_marvel @UniBasel hits 2000 downloads! bit.ly/3gWnD8L #compchem #machinelearning #quantum #openaccess
1
14
30
More great work by Alexander Goscinski, Giulio Imbalzano @MicheleCeriotti and @__luthaf__ @nccr_marvel @lab_COSMO @snsf_ch - 'The role of feature space in atomistic learning' - bit.ly/32lI8Gg #compchem #machinelearning #materials #bigdata #datascience #AI
11
31
NOW >5000 DOWNLOADS! 🥳Read the original founding vision for @MLSTjournal by EiC @ProfvLilienfeld - 'Introducing #MachineLearning: Science and Technology' - bit.ly/3cNSPq7 #compchem #quantum #AI #BigData #physics #NeuralNetworks #openscience #materials #HPC #datascience
1
6
31
DRUM ROLL🥁......announcing the #mostread @MLSTjournal article in 2021 with 10,949 downloads! 'Prediction of chemical #reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBPunibern @IBMResearch bit.ly/31CAbMI #compchem #AI
1
14
31
Yet another new milestone: 'Prediction of chemical reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBunibern @IBMResearch now hits 6000 downloads! bit.ly/31CAbMI #machinelearning #compchem #bioinformatics #opendata #AI
18
26
Great new work by Ivana Nikoloska, Osvaldo Simeone, Leonardo Banchi and @PetarV_93 @TUeindhoven @GoogleDeepMind @fisica_UNIFI - 'Time-warping invariant #quantum recurrent #neuralnetworks via quantum-classical....' - iopscience.iop.org/article/1… #machinelearning #AI #quantumcomputing
3
30
31,151
We've just passed 3000 followers! Thanks to all of our supporters including Board members @ProfvLilienfeld @A_Aspuru_Guzik @zdeborova @KyleCranmer @gppcarleo @corminboeuf_lab @ElenaCuoco @FrankNoeBerlin @jhhalverson @LucasLamata @cosmo_shirley #machinelearning #quantum #compchem
5
32
See what's trending in @MLSTjournal right now at bit.ly/3MfoXUS featuring articles by @A_Aspuru_Guzik @eigensteve @FrankNoeBerlin @MarioKrenn6240 @pschwllr @P_Friederich @teodorolaino @NArtrith @GroupKaestner #machinelearning #AI #compchem #materials #quantum #physics
10
32
Another milestone: 'Scientific intuition inspired by #machinelearning-generated hypotheses' by @P_Friederich @A_Aspuru_Guzik @MarioKrenn6240 and @itamblyn @acceleration_c @chemuoft @VectorInst @NRC_CNRC @CIFAR_News hits 4000 downloads! bit.ly/2OPwVL4 #compchem #materials
2
7
31
NOW >5000 DOWNLOADS!🥳'Scientific intuition inspired by #machinelearning-generated hypotheses' by @P_Friederich @A_Aspuru_Guzik @MarioKrenn6240 and @itamblyn @acceleration_c @chemuoft @VectorInst @NRC_CNRC @CIFAR_News - bit.ly/2OPwVL4 #compchem #materials #AI #quantum
7
26
ALREADY >5000 DOWNLOADS!🥳 '#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc bit.ly/3mLWxX1 #compchem #AI #dynamics
4
29
NOW >17,000 DOWNLOADS!🥳'Prediction of chemical #reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBPunibern @IBMResearch bit.ly/31CAbMI #machinelearning #compchem #DFT #Bioinformatics #AI #openscience #Python #compbio
1
8
27
'Deep molecular dreaming: inverse #machinelearning for de-novo #moleculardesign...' by @cynt_sh @A_Aspuru_Guzik @MarioKrenn6240 @EppelSagi @VectorInst @UofTCompSci @chemuoft @CIFAR_News hits 3000 downloads! bit.ly/36rX7R8 #compchem #neuralnetworks #opendata #quantum #AI
5
31
Drum roll.....announcing the most read @MLSTjournal article in 2020 with 4209 downloads! '#Machinelearning the computational cost of #quantum #chemistry' by @ProfvLilienfeld @MaxSchwilk @ferchault and @Heini_dppf @nccr_marvel - bit.ly/35aBwgS #compchem #datascience #HPC
11
31
'#Physics makes the difference: #Bayesian #optimization and active learning via augmented #Gaussian process' by @MaximZiatdinov @Sergei_Imaging and Ayana Ghosh @ORNL @ORNL_PhysSci @ORNLComputing hits 1000 downloads already! bit.ly/3uzRqhd #machinelearning #materials #AI
6
27
'PyXtal_FF: a #python library for automated force field generation' by H Yanxon, D Zagaceta, B Tang, D S Matteson and Q Zhu @UNLVresearch @CornellDSDS hits 2000 downloads! bit.ly/3p4ygKV #pythonprogramming #machinelearning #datascience #opendata #compchem #PyTorch #code
1
31
30
'Prediction of chemical reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBunibern @IBMResearch hits 1000 downloads! bit.ly/31CAbMI #machinelearning #compchem #drugdiscovery #AI #bigdata #NLP #neuralnetworks
14
31
'PyXtal_FF:a #python library for automated #forcefield generation' by H Yanxon, D Zagaceta, B Tang, D S Matteson and Q Zhu @UNLVresearch @CornellDSDS hits 3000 downloads! bit.ly/3p4ygKV #pythonprogramming #machinelearning #neuralnetworks #opendata #compchem #condmat #DFT
7
26
>600 DOWNLOADS IN 2 DAYS!🥳 '#Physics-based representations for #machinelearning properties of #chemicalreactions' by @puckvg @albertfabriz @mdwodrich @corminboeuf_lab @NCCR_Catalysis @nccr_marvel @epflSB @EPFL_CHEM_Tweet bit.ly/3s5Ohn4 #compchem #AI #catalysis #quantum
1
3
30
NOW >3K DOWNLOADS!🥳'How robust are modern graph #neuralnetwork potentials in long and hot #moleculardynamics simulations?' by @gasteigerjo @jtmargraf @guennemann @fhi_mpg_de @TU_Muenchen - bit.ly/3DMi4b5 #compchem #machinelearning #graphs #AI #materials #HPC #condmat
7
32
5,163
'A #machinelearning workflow for molecular analysis: application to melting points' by @A_Aspuru_Guzik @ganesh_S20 @beangoben @venkvis @alvarovmoficial @VectorInst @UofTCompSci @CIFAR_News hits 4400 downloads! bit.ly/2Xh2wGt #compchem #materials #quantum #compbio #AI
2
3
27
Great new work by Ludwig Winkler, Klaus-Robert Müller and @HESauceda @TUBerlin @bifoldberlin @maxplanckpress @googIeresearch @BASF @UNAM_MX @IF_UNAM - 'High-fidelity #moleculardynamics trajectory......#neuralnetworks' - bit.ly/3GyQbmp #machinelearning #compchem #AI #HPC
1
11
29
@MLSTjournal publishes first content! Read for free via the journal website: ow.ly/gDb050ydipq
Congrats and thanks to all authors, reviewers, and Editorial Board inc. @ProfvLilienfeld @A_Aspuru_Guzik @gppcarleo @KyleCranmer @ElenaCuoco @corminboeuf_lab @FrankNoeBerlin et al
13
30
'Hessian-based toolbox for reliable and interpretable #machinelearning in #physics' by @MolecularRobot @MichalTomza @adauphin4 @PHuembeli @QuantMol @ICFOnians @CAMOP_UW @cqs_lab @icreacommunity hits 500 downloads! bit.ly/3HVy6j1 #quantum #neuralnetworks #condmat #AI
16
29
Great new work by @PabloLemosP @Niall_Jeffrey @MilesCranmer @cosmo_shirley and @PeterWBattaglia @PhysicsAtSussex @ucl @LP_ENS_ @NYUPhysics @FlatironCCA @FlatironInst @Physics_CMU @GoogleDeepMind - 'Rediscovering orbital mechanics with #machinelearning' - iopscience.iop.org/article/1… #AI #physics #cosmology #gravity #astrophysics #graphs #neuralnetworks #ml4astro
5
27
4,614
A great review by @NArtrith @TobiasMorawietz @GroupKaestner @AlexUrban42 @Uni_Stuttgart @Bayer @AENET_Network @ChemeCU @ChemColumbia - 'Strategies for the construction of #machinelearning potentials for accurate......'- bit.ly/36P3DSq #compchem #materials #neuralnetworks
1
18
28
Great new work by C Shen, @A_Aspuru_Guzik @MarioKrenn6240 @EppelSagi @VectorInst @UofTCompSci @chemuoft @CIFAR_News - 'Deep molecular dreaming: inverse #machinelearning for de-novo #moleculardesign.........' - bit.ly/36rX7R8 #compchem #bigdata #informatics #quantum #AI
1
8
27
'PyXtal_FF: a #python library for automated force field generation' by Howard Yanxon, David Zagaceta, Binh Tang, David S Matteson and Qiang Zhu @UNLVresearch @CornellDSDS hits 1500 downloads! bit.ly/3p4ygKV #pythonprogramming #machinelearning #datascience #compchem #AI
14
31
With special thanks to our fantastic Editorial Board including @KyleCranmer @A_Aspuru_Guzik @zdeborova @gppcarleo @ElenaCuoco @FrankNoeBerlin @corminboeuf_lab @ProfvLilienfeld @cosmo_shirley @xmpierinix @keeeto2000 @olexandr @ramav_matsci @wangleiphy @tristanbereau @jhhalverson
SEASON'S GREETINGS from @MLSTjournal! Thanks to our Board members, authors and reviewers for supporting us in 2022.🙏 We look forward to serving the #MachineLearning community next year! #quantum #compchem #AI #materials #neuralnetworks #openscience #bigdata #HPC #HEP #physics
2
5
27
8,662
A huge thank you to our fantastic Board including @KyleCranmer @ProfvLilienfeld @A_Aspuru_Guzik @zdeborova @corminboeuf_lab @xmpierinix @FrankNoeBerlin @gppcarleo @ElenaCuoco @cosmo_shirley @keeeto2000 @ramav_matsci @tristanbereau @wangleiphy @GroupTuckerman @olexandr @eunahkim
@MLSTjournal is now ranked in Q1 of the JCR with a first IF of 6.013. Thanks to all of our Board members, authors and supporters for making this happen - we look forward to serving the #machinelearning community for years to come! #AI #compchem #quantum #materials #compphys #HEP
3
29
Great new work by @MolecularRobot @MichalTomza @adauphin4 @PHuembeli @QuantMol @ICFOnians @CAMOP_UW @cqs_lab @icreacommunity - 'Hessian-based toolbox for reliable and interpretable #machinelearning in #physics' - bit.ly/3HVy6j1 #quantum #opendata #quantummatter #compphys
6
29
NOW >7000 DOWNLOADS!🥳'#Machinelearning the computational cost of #quantum #chemistry' by @ProfvLilienfeld @MaxSchwilk @ferchault and @Heini_dppf @nccr_marvel @cscsch bit.ly/35aBwgS #compchem #HPC #opendata #materials #cheminformatics #condmat #AI #neuralnetworks
6
28
NOW >4000 DOWNLOADS! '#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc bit.ly/3mLWxX1 #compchem #AI #fluiddynamics
3
28
Very interesting new work from @rgmelko and @carrasqu - Recurrent Neural Network Wavefunctions - arxiv.org/abs/2002.02973 #NeuralNetworks #MachineLearning #quantum
5
28
New work from @ProfvLilienfeld @AndersSChristen @JWestermayr and @marquetand @nccr_marvel @theo_chem on #Neuralnetworks and kernel ridge regression for excited states dynamics of CH2NH$_2^+$.......- bit.ly/2XgHBTf #MachineLearning #compchem
11
29
Great new work by @AxelrodSimon @RGBLabMIT @mit_dmse @HarvardCCB - 'Molecular #machinelearning with conformer ensembles' - iopscience.iop.org/article/1… #compchem #compbio #molecules #AI #drugdiscovery #HPC
4
32
2,756
NOW >5000 DOWNLOADS!🥳'Deep molecular dreaming: inverse #machinelearning for de-novo #moleculardesign.....' by @cynt_sh @A_Aspuru_Guzik @MarioKrenn6240 @EppelSagi @VectorInst @UofTCompSci @CIFAR_News @MPI_Light bit.ly/36pWD1k #compchem #cheminformatics #AI #quantum #HPC
3
28
Introducing our Editorial Board…
Alán Aspuru-Guzik, University of Toronto, Canada @A_Aspuru_Guzik
Research interests: ML for inverse molecular design, generative models for molecules, Bayesian methods, quantum ML #machinelearning #artificialintelligence
2
24
Great new work by @eunahkim @peterlmcmahon @carrasqu Paul Ginsparg et al @LASSP_Cornell @cs_cornell @VectorInst @WaterlooSci - 'Attention-based #quantum #tomography' - bit.ly/30QyTk6 #machinelearning #comphys #quantumcomputing #condmat #NLP #opendata #AI #IBMQ
8
23
Great new work by @ema_puljak @GrosQmichi @quantum_of_me @PBarkoutsos @ITavernelli et al @IBMResearch @ETH_en @CERN @pasqalio -'Unravelling #physics beyond the #standardmodel with classical and #quantum...' -iopscience.iop.org/article/1… #machinelearning #LHC #HEP #particlephysics #QML
3
29
5,673
NOW >9000 DOWNLOADS!🥳'#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc bit.ly/3mLWxX1 #compchem #AI #dynamics #HPC
6
28
NOW >24k DOWNLOADS AND >150 CITATIONS!🥳'Self-referencing embedded strings (#SELFIES)..'by @A_Aspuru_Guzik @MarioKrenn6240 @florian_hase @P_Friederich @akshat_ai @chemuoft @VectorInst @CIFAR_News @acceleration_c - bit.ly/2IGopuo #compchem #materials #machinelearning #AI
2
28
Great new work by @mfkasim @DWatsonParris et al @OxfordPhysics @OxfordAOPP @UofR @PlasmaphysikIPP @Yale @unisevilla -'Building high accuracy emulators for scientific #simulations with..' - bit.ly/3pBjRZe #machinelearning #datascience #compchem #plasmas #climate #compphys
9
27
'Machine learning and excited-state molecular dynamics' by @JWestermayr and @marquetand @theo_chem @MoltagDK hits 2600 downloads! #Openaccess at bit.ly/2EdwapQ #compchem #MachineLearning #DeepLearning #bigdata #quantum #AI
10
26
Great new work by @ProfvLilienfeld @AndersSChristen S Goedecker et al @nccr_marvel @lab_COSMO @EPFL_en @UniBasel @BASF - 'An assessment of the structural resolution of various fingerprints used in #machinelearning'- bit.ly/3dU2USL #compchem #materials #neuralnetworks #AI
7
25
'Thousands of reactants and transition states for competing E2 and SN2 reactions' by @ProfvLilienfeld @ferchault @Heini_dppf and M Bragato @nccr_marvel @UniBasel now hits 2000 downloads! bit.ly/3myzf4k #compchem #machinelearning #quantum #Deeplearning #catalysis #bigdata
1
12
28
Great new work by @PabloLemosP @ElenaMassara @cosmo_shirley @MilesCranmer @changhoon_hahn @DYallup @muntazirabidi @meickenberg @FlatironCCA @NYUPhysics - 'Robust #simulation-based inference in #cosmology with #Bayesian #neuralnetworks' - bit.ly/3IM2Wgs #astrophysics #AI
1
9
28
10,681
'A #machinelearning workflow for molecular analysis: application to melting points' by @A_Aspuru_Guzik @ganesh_S20 @beangoben @venkvis @alvarovmoficial
@VectorInst @UofTCompSci hits 1300 downloads! #openaccess in @MLSTjournal at bit.ly/2Xh2wGt #compchem #DataScience #AI
1
18
26
NOW >12,000 DOWNLOADS!🥳'Prediction of chemical reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBPunibern @IBMResearch bit.ly/31CAbMI #machinelearning #compchem #DFT #Bioinformatics #AI #openscience #NLP #SMILES
9
26
🥳👏Beginning our countdown of the top 10 most read @MLSTjournal articles published in 2022 - #10 coming up! #MachineLearning #compchem #neuralnetworks #datascience #AI #quantum #materials #drugdiscovery #HPC #DeepLearning #compbio #bioinformatics #HEP #openscience #cosmology
16
28
31,924
NOW >18K DOWNLOADS!🥳'#Deeptime: a #Python library for #machinelearning dynamical models from #timeseries..' by @FrankNoeBerlin @eigensteve @andreasmardt @brookehus @tmhmpl et al @FU_Berlin @ME_at_UW @uwengineering @phybiofunc bit.ly/3mLWxX1 #compchem #AI #dynamics #HPC
2
24
3,649
'Applications of #physics informed neural operators' by @RosofskyShawn Hani Al Majed and Eliu Huerta @PhysicsIllinois @NCSAatIllinois @ECEILLINOIS @UChicagoCS @argonne hits 2000 downloads! #machinelearning #neuralnetworks #AI #statphys #complexity #HPC #supercomputing #opendata #PINNS
3
29
20,650
NOW >23K DOWNLOADS!🥳'Prediction of chemical #reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBPunibern @IBMResearch bit.ly/31CAbMI #machinelearning #compchem #DFT #Bioinformatics #AI #openscience #Python #HPC #code
7
25
2,988
'Symmetric and antisymmetric kernels for #machinelearning problems in #quantum #physics and chemistry' by @FrankNoeBerlin S Klus, P Gelß and F Nüske @FU_Berlin @unipb @RiceUniversity @bifoldberlin @MATHplusBerlin hits 2000 downloads! bit.ly/3fD9uPz #compchem #AI #bigdata
5
25
NOW >3K DOWNLOADS!🥳 'Curiosity in exploring chemical spaces: intrinsic rewards for molecular #reinforcementlearning' by @A_Aspuru_Guzik @MarioKrenn6240 @akshat_ai @UofTCompSci @VectorInst @CIFAR_News @MPI_Light @Stanford - bit.ly/3cHO9pe #compchem #machinelearning #AI
7
27
5,732
WE'VE JUST PASSED 8K FOLLOWERS!🥳A huge thanks to our fantastic Editorial Board for helping us pass this milestone including @KyleCranmer @A_Aspuru_Guzik @zdeborova @FrankNoeBerlin @cosmo_shirley @gppcarleo @ProfvLilienfeld @ElenaCuoco @corminboeuf_lab @keeeto2000 @olexandr @wangleiphy @tristanbereau @KrippendorfSven @LucasLamata @QMC_Anouar #machinelearning #AI #compchem #materials #quantum #HEP #astrophysics
3
23
4,498
'Prediction of chemical reaction yields using #deeplearning' by @pschwllr @acvaucher @teodorolaino @jrjrjlr @reymondgroup @DCBunibern @IBMResearch now hits 2000 downloads! bit.ly/31CAbMI #machinelearning #compchem #bioinformatics #AI #bigdata #NLP #NeuralNetworks
13
22
#9 MOST READ in 2022 with 2367 downloads!🥳👏'#Physics-based representations for #machinelearning properties of #chemicalreactions' by @puckvg @albertfabriz @mdwodrich @corminboeuf_lab @NCCR_Catalysis @nccr_marvel @epflSB @EPFL_CHEM_Tweet bit.ly/3s5Ohn4 #compchem #AI
🥳👏Beginning our countdown of the top 10 most read @MLSTjournal articles published in 2022 - #10 coming up! #MachineLearning #compchem #neuralnetworks #datascience #AI #quantum #materials #drugdiscovery #HPC #DeepLearning #compbio #bioinformatics #HEP #openscience #cosmology
1
3
25
4,293