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Mariewelt
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OpenChem
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research
https://mariewelt.github.io/OpenChem/
MIT License
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feat: Allow flexibility in load_state_dict
#29
ngchanway
opened
1 year ago
0
Update graph_data_layer.py
#28
rflameiro
opened
1 year ago
0
Predicting value of external data from GCNN model developed
#27
pramodkp
opened
1 year ago
0
Inatallation instructions Docs not in sync
#26
Maddocent
opened
2 years ago
0
OpenChem with Windows
#25
jhubj
opened
2 years ago
0
Data Sources - Citations?
#24
AcylSilane
opened
3 years ago
2
Molecular rnn checkpoint
#23
Mariewelt
closed
3 years ago
0
example of GenerativeRNN
#22
mkrompiec
opened
3 years ago
0
Fix error in docs
#21
itisAliRH
closed
3 years ago
1
use_cuda set to True in config file, but model runs on CPU
#20
LiuCMU
opened
3 years ago
0
Use SELFIES instead of SMILES as your input format
#19
UnixJunkie
opened
4 years ago
2
Latest
#18
Mariewelt
closed
4 years ago
0
Develop
#17
Mariewelt
closed
4 years ago
0
Major repository update
#16
Mariewelt
closed
4 years ago
0
Error occurs when building the Docker image
#15
hsiaoyi0504
opened
4 years ago
0
IndexError: too many indices for array in ipynb file
#14
healthoptim
opened
4 years ago
0
Possibility of incorporating RL
#13
EXJUSTICE
opened
4 years ago
0
Integrating OpenChem with MXNet backend
#12
ChaiBapchya
opened
5 years ago
0
Files referred to in example_configs don't exist
#11
PatWalters
opened
5 years ago
0
Issue with index Embedding layer
#10
lorenzoFabbri
opened
5 years ago
1
Data splitting with enumerated SMILES
#9
lorenzoFabbri
opened
5 years ago
2
Support extended GraphRNN model
#8
mike-shvets
closed
5 years ago
0
Fix tensorboard logging crash
#7
mike-shvets
closed
5 years ago
0
Merging modifications to develop
#6
Mariewelt
closed
5 years ago
0
Merge version 0.1 to master branch
#5
Mariewelt
closed
6 years ago
0
Multiprocess
#4
Mariewelt
closed
6 years ago
0
Implemet padded packed sequence and support for batches with dynamic sequence length
#3
Mariewelt
closed
4 years ago
1
Evaluation in distirbuted mode
#2
Mariewelt
opened
6 years ago
0
Kill all processes when one of the processes exited with error.
#1
Mariewelt
closed
4 years ago
1