Better MP, multi-gpu, atom graphs, replay, GPS, LS-GFN, and fixes - Githubissues

recursionpharma / gflownet

GFlowNet library specialized for graph & molecular data

MIT License

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Better MP, multi-gpu, atom graphs, replay, GPS, LS-GFN, and fixes #141

Open bengioe opened 1 month ago

bengioe commented 1 month ago

Tons of new features:

120 shared pinned buffer for better MP
C molecular graphs
Local Search GFN
Better replay (prio + uniques)
Multi-GPU training
Graph model can now do GPS
New fragment env variant
Many fixes