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recursionpharma
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gflownet
GFlowNet library specialized for graph & molecular data
MIT License
211
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41
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The questions in data_source.py
#142
SeonghwanSeo
opened
12 hours ago
0
Better MP, multi-gpu, atom graphs, replay, GPS, LS-GFN, and fixes
#141
bengioe
opened
1 month ago
0
Interpretation of max_len in graph sampling
#140
n-kish
opened
1 month ago
0
chore: modernize `get_version` and remove `types-pkg_resources`
#139
dmaljovec
opened
1 month ago
1
Typo in try except block (tqdm)
#138
paul673
opened
2 months ago
0
Shape of 'non_edge_index' in 'mol_building_env' causes invalid_losses > 0
#137
hohyun312
opened
2 months ago
0
'FlowMatching' object has no attribute 'correct_idempotent'
#136
3145tttt
opened
3 months ago
0
Calculate the Pearson correlation
#135
tgritsaev
closed
3 months ago
0
Exception in thread Thread-1 (_run_pareto_accumulation)
#134
gmseabra
opened
4 months ago
0
FragMolBuildingEnvContext function obj_to_graph unable to generate Graph for certain molecules
#133
W-OK-E
opened
6 months ago
13
Downgrade Mac OS image to get build to pass
#132
bengioe
closed
6 months ago
0
Add `raw_logits` in GraphActionCategorical to() method
#131
bengioe
closed
6 months ago
3
Fixes GPU memory overflow when using replay buffer
#130
julienroyd
closed
7 months ago
1
Adds ActionIndex and Harmonize use of action-masks
#129
julienroyd
closed
7 months ago
1
fix: adjust to latest format
#128
dmaljovec
closed
7 months ago
0
Fixes MOQL
#127
julienroyd
opened
7 months ago
0
QoL improvements and more docs
#126
bengioe
closed
6 months ago
0
Adding SC-Scorer
#125
julienroyd
opened
8 months ago
1
add maxent GFNs
#124
SobhanMP
closed
7 months ago
0
Nested dataclasses do not reinitialize
#123
bengioe
closed
8 months ago
0
Better iterators
#122
bengioe
closed
8 months ago
0
Minor fragment environment speed improvements + replay fix
#121
bengioe
closed
8 months ago
2
Shared pinned buffers
#120
bengioe
opened
8 months ago
3
Update installation to python 3.10, torch 2.1
#119
julienroyd
closed
8 months ago
2
Add wandb-sweep example and clean-up use of configs
#118
julienroyd
closed
8 months ago
1
Fixes double-log, multithreading termination and duplicated config
#117
julienroyd
closed
9 months ago
0
add fixes from the maxent paper
#116
SobhanMP
closed
8 months ago
5
Fix double-log in MOGFN + various fixes
#115
bengioe
closed
9 months ago
0
QM9 doc + lint + sampled_avg_reward
#114
bengioe
closed
9 months ago
0
Duplicate logarithm in `seh_frag_moo`
#113
swansonk14
closed
9 months ago
2
Update implementation_notes.md
#112
bengioe
closed
9 months ago
0
fixed sequence setup to be masked & p(x) computable
#111
lazaratan
closed
10 months ago
0
Add backward sampling
#110
bengioe
closed
1 year ago
0
Feat two models
#109
bengioe
opened
1 year ago
0
Make the code work with forkserver/spawn
#108
SobhanMP
opened
1 year ago
0
Separate P_B trunk & min_len
#107
bengioe
opened
1 year ago
1
Support for LR sequence environments
#106
bengioe
closed
1 year ago
0
Adding detailed balance
#105
bengioe
closed
1 year ago
1
Fix docstring in GraphTransformer (#97)
#104
hohyun312
closed
1 year ago
1
Faster molecule encoding
#103
bengioe
closed
1 year ago
0
add faster subTB
#102
SobhanMP
closed
1 year ago
1
Add small graph task
#101
bengioe
opened
1 year ago
0
Add support for backwards actions in MolBuildingEnvContext
#100
bengioe
closed
1 year ago
0
Harmonize use of masks
#99
bengioe
closed
5 months ago
1
Refactor tasks
#98
bengioe
closed
1 year ago
0
Fix GraphTransformer forward function
#97
hohyun312
closed
1 year ago
2
Recursive decompose routine for fragment env
#96
bengioe
closed
1 year ago
1
Convert configs to standard library
#95
bengioe
closed
1 year ago
0
handle multiple edge_index features (like remove and add)
#94
SobhanMP
closed
1 year ago
0
Feature: better configs
#93
bengioe
closed
1 year ago
0
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