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deepchem
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deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
https://deepchem.io/
MIT License
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Protein structure prediction with ESMFold tutorial
#4030
anamika-yadav99
opened
2 hours ago
1
MXMNet Torch model and its tests
#4029
riya-singh28
opened
2 hours ago
1
minor doc fix
#4028
harishwar017
opened
5 hours ago
0
DeepVariant 1 (generating pileups with pysam)
#4027
KitVB
opened
8 hours ago
0
Typo fix for issue #3534
#4026
harishwar017
closed
10 hours ago
0
ODE Solver Tutorial
#4025
GreatRSingh
opened
2 days ago
1
Update notebook reference
#4024
emmanuel-ferdman
opened
2 days ago
0
fixing unit tests and doc test imports
#4023
TRY-ER
closed
2 days ago
0
Intro bindingsites
#4022
elisagdelope
opened
1 week ago
2
Wdg poly primary util
#4021
TRY-ER
opened
1 week ago
0
Weighted Directed Graph Validator Setup
#4020
TRY-ER
opened
1 week ago
0
Test Fixes
#4019
GreatRSingh
closed
5 days ago
0
PR for Smiles2vec model porting
#4018
harishwar017
opened
1 week ago
1
Weighted Directed Graph Data Inclusion
#4017
TRY-ER
opened
1 week ago
0
split commit for base abstract polymer featurizer
#4016
TRY-ER
opened
1 week ago
1
DMPNNModel doing a slow data transformation for each molecule, each batch
#4015
gehlhaarPfizer
opened
1 week ago
3
MPNN model docs change [skip ci]
#4014
Ibrahimsuf
opened
1 week ago
0
pin numpy to version<2 to prevent rdkit errors
#4013
shreyasvinaya
closed
1 week ago
0
First Commit of Antibody Tutorial with Corresponding Updates to README
#4012
dhuvik
opened
1 week ago
1
DMPNN Featurizer - Features Generators
#4011
calvinp0
opened
2 weeks ago
2
add flaky mark to grover
#4010
GreatRSingh
opened
2 weeks ago
0
build test and docker cpu
#4009
GreatRSingh
opened
2 weeks ago
0
ODE Solving Utilities
#4008
GreatRSingh
closed
5 days ago
0
test docker build
#4007
GreatRSingh
opened
2 weeks ago
0
add: remaining modes to torch.compile
#4006
gauthamk02
closed
5 days ago
2
Fix Linting Test
#4005
shreyasvinaya
closed
2 weeks ago
0
Fix Linting test
#4004
shreyasvinaya
closed
2 weeks ago
1
Fix TF Install issue for Linting
#4003
shreyasvinaya
closed
2 weeks ago
1
tensorflow 2.16 version fix
#4002
KitVB
closed
2 weeks ago
1
making the tensorflow dependancy less than 2.16.1
#4001
TRY-ER
closed
2 weeks ago
1
Protac tutorial
#4000
david-zhang03
closed
5 days ago
2
pyscf ferminet test fix
#3999
GreatRSingh
opened
3 weeks ago
1
Add normalizingflow model
#3998
shreyasvinaya
closed
2 days ago
0
Porting the "Generating Molecules with MolGAN" tutorial to PyTorch.
#3997
karannb
closed
3 weeks ago
1
Add OpenBlas for dqclibs building
#3996
GreatRSingh
closed
2 weeks ago
1
Dv1
#3995
KitVB
opened
3 weeks ago
0
Ported "Generating Molecules with MolGAN" tutorial to PyTorch completely
#3994
karannb
closed
3 weeks ago
1
Unet doctest fix
#3993
GreatRSingh
opened
3 weeks ago
0
added utils file with docs for polymer graph
#3992
TRY-ER
opened
3 weeks ago
3
Tensorflow ExponentialDecay is mis-implemented
#3991
gehlhaarPfizer
opened
3 weeks ago
5
Porting Graph Gather Layer to PyTorch
#3990
NimishaDey
closed
2 days ago
0
Ignore Multi type list content error
#3989
GreatRSingh
opened
3 weeks ago
0
Fixing mypy errors
#3988
NimishaDey
closed
3 weeks ago
0
add: basic implementation of torch.compile
#3987
gauthamk02
closed
3 weeks ago
0
Ci fixes
#3986
NimishaDey
opened
3 weeks ago
0
Adding ProtBERT
#3985
Shiva-sankaran
closed
1 week ago
1
adding base polymer featurizer and weighted graph data for represetation
#3984
TRY-ER
opened
3 weeks ago
1
MPNNModel documentation is incorrect, rendering the model unusable
#3983
gehlhaarPfizer
opened
4 weeks ago
2
DFT PR - 8
#3982
GreatRSingh
opened
1 month ago
1
Deepchem website rebuild trigger
#3981
Cannon07
closed
3 weeks ago
0
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