MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.

MaSIF-neosurf: surface-based protein design for ternary complexes.

Tool to compute molecular Solvent Excluded Surface meshes on the GPU using CUDA

mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/

Library of PyMOL Python snippets for Google Colab.

Designing amino acids around hotspots

This is a copy version from the original source of OctSurf: Efficient Hierarchical Voxel-based Molecular Surface Representation for the Protein-Ligand Affinity Prediction..

Molecular surface generation and rendering in wgpu.