Issues
- 1
- 6
error while running Lib-Invent
#52 opened by arvindsemwal20 - 1
Use of individual config filenames prevented
#50 opened by pmaen - 1
I tried to follow the steps to install Reinvent, but can't create the environment, it shows "ResolvePackageNotFound:"
#49 opened by manajit-das - 1
How to run Reinveint in parallel?
#48 opened by hqi77 - 1
- 1
How do you write your name?
#46 opened by jonalv - 1
Reinforcement learning, generating invalid molecules resulting assertion error and it is failing the entire process.
#44 opened by arijit-s - 4
Suggestion: Torch.cuda.is_available() checks for Reinvent Models PyPI Package
#41 opened by Ashish13898 - 1
Does Reinvent implement reaction rules?
#38 opened by JuanLuGMid - 3
Tautomers
#37 opened by Sagar-Gore - 9
- 6
Complete Use Case in Reinvent Community
#33 opened by dd1github - 2
from reinvent_scoring.scoring.scoring_function_parameters import ScoringFuncionParameters
#31 opened by ilknuricke-Takeda - 3
- 3
python main_test.py failed
#29 opened by xuzhang5788 - 1
model prediction with maccs/avalon descriptors
#27 opened by recherHE - 2
Cannt run on RTX 30 series GPU
#26 opened by dxyzx0 - 2
How to get the batches of the generated compounds?
#24 opened by recherHE - 3
Train a new model with a new .smi set
#20 opened by Gromax13 - 3
Reorganize repository as python package
#2 opened by cthoyt - 1
- 3
Reinvent 3.2 version inconsistencies
#45 opened by j3mdamas - 4
Tracing docking results from Dockstream
#43 opened by LarsAC - 2
Project workflows
#42 opened by WoutVanEynde - 7
Unpickling error
#32 opened by Shiska07 - 2
Can not run reinvent 3.0 successfully on RTX3090
#40 opened by yrq3027 - 3
- 6
- 5
- 1
Conda env create fails on Windows/Mac
#5 opened by tblaschke - 4
Add LICENSE
#4 opened by cthoyt - 2
ResolvePackageNotFound
#28 opened by MiloszGrabski - 0
Smiles sample question
#25 opened by recherHE - 1
- 3
KeyError: '%10' when train a new model
#22 opened by ErikZhang-9762 - 4
Test error and type error
#21 opened by ErikZhang-9762 - 1
- 2
- 4
Complete "Matching substructure" could not be retained in generated molecules
#19 opened by Sagar-Gore - 2
- 2
- 7
- 1
What is the meaning of data processing
#13 opened by zhouhao-learning - 3
- 4
Pytorch 1.3.1 version does not exist on the official website, how to install Pytorch 1.3.1 separately?
#11 opened by zhouhao-learning - 1
Conda env create fails on Ubuntu16.04
#10 opened by zhouhao-learning - 3
Train new prior
#9 opened by albertma-evotec - 1
unittest failure
#8 opened by PatWalters - 1
A unit test is failing
#3 opened by patronov