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Public repository / lcmd-epfl

MolCraftDiffusion

A 3D Molecular Generation Framework for Data-driven Molecular Applications.

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Language distribution

Share of source bytes reported by GitHub

Python100%
Shell<1%
Just<1%

Recent activity

Latest commits on the default branch

add AMCpregHosh · Sep 28, 2026feat(mac): add mac_shims package (pure-torch torch_scatter/torch_cluster for MPS)Thanapat Worakul · Sep 26, 2026feat(mac): add macOS / Apple Silicon (MPS) install routeThanapat Worakul · Sep 26, 2026Merge branch 'main' of https://github.com/pregHosh/MolCraftDiffusionpregHosh · Sep 26, 2026fix(egcl): reset NaN output per molecule, not per batchpregHosh · Sep 26, 2026fix(ldm): keep the VAE named by autoencoder_ckptpregHosh · Sep 25, 2026fix: sp reg.pregHosh · Sep 18, 2026fix(loading): multiprocessingpregHosh · Sep 18, 2026fix(data): automatically drop NaN rowspregHosh · Sep 18, 2026fix(ldm): add the radius_graph_utils module,pregHosh · Sep 17, 2026

Project details

Created Nov 2025 Updated Sep 2026 MIT License Project website
3d-molecular-generation3d-moleculesaicheminformaticschemistrydiffusiondiffusion-modelsgenerative-ai

Contributors

1
pregHosh's avatarpregHosh247 commits