Ecosyste.ms: Issues

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GitHub / divelab/airs issues and pull requests

#25 - how to transform molecules in QH9 dataset into SMILES

Issue - State: closed - Opened by Maximilian1794 about 2 months ago - 2 comments

#24 - Track ordering of training data in QHNet

Issue - State: closed - Opened by 19227sh 2 months ago - 1 comment

#23 - A minor issue on the implementation of QHNet

Issue - State: closed - Opened by TongWang-AI4S 3 months ago - 2 comments

#22 - GMTNet: training on elastic and piezoelectric tensors

Issue - State: closed - Opened by z4-qqq 3 months ago - 1 comment

#22 - GMTNet: training on elastic and piezoelectric tensors

Issue - State: closed - Opened by z4-qqq 3 months ago - 1 comment

#21 - coformer代码运行不起来

Issue - State: closed - Opened by qwertyuiopasdfghjklzxcn 3 months ago - 1 comment

#20 - Potential bug for the orbital-mask calculating in QH9 dataset

Issue - State: closed - Opened by Franklalalala 5 months ago - 2 comments

#20 - Potential bug for the orbital-mask calculating in QH9 dataset

Issue - State: closed - Opened by Franklalalala 5 months ago - 2 comments

#19 - wrong convention for PySCF format data

Issue - State: closed - Opened by Franklalalala 6 months ago - 1 comment

#19 - wrong convention for PySCF format data

Issue - State: closed - Opened by Franklalalala 6 months ago - 1 comment

#18 - Request for Dataset Division Files: Following Your Methodology

Issue - State: closed - Opened by TheBestOrNothing-gwh 8 months ago - 1 comment

#18 - Request for Dataset Division Files: Following Your Methodology

Issue - State: closed - Opened by TheBestOrNothing-gwh 8 months ago - 1 comment

#17 - Jarvis version update

Issue - State: closed - Opened by TheCutestCat 10 months ago - 1 comment

#17 - Jarvis version update

Issue - State: closed - Opened by TheCutestCat 10 months ago - 1 comment

#16 - SMILES of QH9 entries

Issue - State: closed - Opened by Obs01ete 10 months ago - 2 comments

#15 - A question about irreps in QHNet

Issue - State: closed - Opened by Mo-Chen21 11 months ago - 1 comment

#15 - A question about irreps in QHNet

Issue - State: closed - Opened by Mo-Chen21 11 months ago - 1 comment

#14 - nothing

Issue - State: closed - Opened by justSOZ 11 months ago

#14 - nothing

Issue - State: closed - Opened by justSOZ 11 months ago

#12 - How can I train protein_autoencoder/main.py using multiple GPUs?

Issue - State: closed - Opened by SunwooHong 11 months ago - 2 comments

#12 - How can I train protein_autoencoder/main.py using multiple GPUs?

Issue - State: closed - Opened by SunwooHong 11 months ago - 2 comments

#11 - QH9: Reproducing Hamiltonians with PySCF gives 2[μHa] error.

Issue - State: closed - Opened by AlexanderMath about 1 year ago - 3 comments

#11 - QH9: Reproducing Hamiltonians with PySCF gives 2[μHa] error.

Issue - State: closed - Opened by AlexanderMath about 1 year ago - 4 comments

#10 - QH9: Hamiltonians for the same molecule are very similar.

Issue - State: closed - Opened by AlexanderMath about 1 year ago - 3 comments

#10 - QH9: Hamiltonians for the same molecule are very similar.

Issue - State: closed - Opened by AlexanderMath about 1 year ago - 3 comments

#9 - Update datasets.py

Pull Request - State: closed - Opened by AlexanderMath about 1 year ago - 1 comment

#9 - Update datasets.py

Pull Request - State: closed - Opened by AlexanderMath about 1 year ago - 1 comment

#8 - the training loss of QHNet did not drop

Issue - State: closed - Opened by EperLuo about 1 year ago - 4 comments

#8 - the training loss of QHNet did not drop

Issue - State: closed - Opened by EperLuo about 1 year ago - 4 comments

#7 - Trained weights Latent diffusion for protein structure generation

Issue - State: closed - Opened by kilianFatras about 1 year ago - 2 comments

#7 - Trained weights Latent diffusion for protein structure generation

Issue - State: closed - Opened by kilianFatras about 1 year ago - 2 comments

#6 - PotNet enviroment set up

Issue - State: closed - Opened by hongshuh over 1 year ago - 8 comments

#6 - PotNet enviroment set up

Issue - State: closed - Opened by hongshuh over 1 year ago - 8 comments

#5 - Fix typo in bond_adding.py

Pull Request - State: closed - Opened by eltociear over 1 year ago - 1 comment

#5 - Fix typo in bond_adding.py

Pull Request - State: closed - Opened by eltociear over 1 year ago - 1 comment

#4 - updated figure 1

Pull Request - State: closed - Opened by AllieSaxton03 over 1 year ago

#3 - added sec2_feature_fields.png

Pull Request - State: closed - Opened by AllieSaxton03 over 1 year ago

#2 - Add figures

Pull Request - State: closed - Opened by AllieSaxton03 over 1 year ago

#1 - Strange Results

Issue - State: closed - Opened by ZJoYuan almost 2 years ago