MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
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Updated
Mar 29, 2024 - Python
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
Tool to compute molecular Solvent Excluded Surface meshes on the GPU using CUDA
MaSIF-neosurf: surface-based protein design for ternary complexes.
Designing amino acids around hotspots
Library of PyMOL Python snippets for Google Colab.
This is a copy version from the original source of OctSurf: Efficient Hierarchical Voxel-based Molecular Surface Representation for the Protein-Ligand Affinity Prediction..
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