This repository contains the model used in the paper: "Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing" [link].
For the dataset, you can download from UBio-MolLR25.
Please refer to the code (IQuestLab/UBio-MolFM) for how to use these models.
md_traj/gln_gly/checkpoint_gln_gly.pt 76 MBmd_traj/sucrose/checkpoint_sucrose.pt 76 MBmd_traj/water-sphere/checkpoint_water.pt 76 MBmd_traj/zif8/checkpoint_zif8.pt 76 MBmd_traj/H2SO4/checkpoint_h2so4.pt 76 MBmd_traj/NaCl/checkpoint_nacl.pt 76 MBmd_traj/NaOH/checkpoint_naoh.pt 76 MBdi_molecule_interaction/checkpoint_di_molecule_interaction.pt 76 MBdeshaw_protein/checkpoint_homeodomain.pt 76 MBdeshaw_protein/checkpoint_lambda.pt 76 MBdeshaw_protein/checkpoint_A3D.pt 76 MBdeshaw_protein/checkpoint_bbl.pt 76 MBHave the files? Submit a torrent.
Submit a torrentHave the complete files and permission to share them? Replace the example folder path. The script checks the files, makes a torrent and submits its magnet and checksums. Keep your torrent client seeding. Get your community key from your settings, and read the script before running it.
curl -fsSL https://pirateface.co/package.sh | bash -s -- --repo AmelieSchreiber/UBio-E2Former-LSR ./model-folder