klklklzzd

Pinned Repositories

• CADD_Visual_Inspection_Training

  Training data for visual inspection after structure-based virtual screening.

  10

• 3Dmol.js

  WebGL accelerated JavaScript molecular graphics library

  Language:Jupyter Notebook00

• champs-scalar-coupling

  Language:Jupyter Notebook00

• deepchem

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

  Language:Python00

• fastai

  The fastai deep learning library, plus lessons and tutorials

  Language:Jupyter Notebook00

• frag_pele

  FrAG, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space

  Language:Python00

• masif

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

  Language:Python00

• matplotlib

  matplotlib: plotting with Python

  Language:Python00

• nb2xls

  Convert Jupyter notebook to Excel spreadsheet

  Language:Jupyter Notebook00

• pointnet

  PointNet: Deep Learning on Point Sets for 3D Classification and Segmentation

  Language:Python00

klklklzzd's Repositories