molecular-surface

There are 1 repository under molecular-surface topic.

LPDI-EPFL / masif
MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.
protein-surface molecular-surface geometric-deep-learning
Language:Python 546
nezix / QuickSES
Tool to compute molecular Solvent Excluded Surface meshes on the GPU using CUDA
cuda gpgpu marching-cubes molecular-surface molecular-visualization
Language:C++ 12
UnixJunkie / EDTSurf
mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/
fast mesh-generation molecular-surface pdb
Language:C++ 9
MooersLab / colabpymolpysnips
Library of PyMOL Python snippets for Google Colab.
colab-notebook notebook pymol protein protein-structure colab literate-programming python molecular biomolecular-structure code-fragments code-snippets ribbon-diagrams grayscale ca-trace molecular-surface drug-molecules ligand-binding-sites molecular-graphics
Language:Jupyter Notebook 3
dcoukos / masif-tools
Designing amino acids around hotspots
masif molecular-surface geometric-deep-learning
Language:Python 2
yuyuan871111 / OctSurf
This is a copy version from the original source of OctSurf: Efficient Hierarchical Voxel-based Molecular Surface Representation for the Protein-Ligand Affinity Prediction..
covolution-neural-network molecular-surface octree-structure voxel
Language:C++ 1

LPDI-EPFL / masif