masterwhook

Pinned Repositories

• AA-Score-Tool

  a tool for protein-ligand binding affinity prediction

  Language:Python00

• ACGT

  Accerelarting Chemical discovery with Graph Transformer

  Language:Python01

• ACPC

  Chemoinformatics tool for ligand-based virtual screening

  Language:OCaml00

• acpype

  OFFICIAL: AnteChamber PYthon Parser interfacE

  Language:Rich Text Format00

• AdaptaBERT

  Unsupervised Domain Adaptation of Contextualized Embeddings for Sequence Labeling

  Language:Python00

• af2

  To eventually become a Pytorch implementation of Alphafold2, as details of the architecture get released

  Language:Python00

• aizynthfinder

  A tool for retrosynthetic planning

  Language:Python00

• alchemical-analysis

  An open tool implementing some recommended practices for analyzing alchemical free energy calculations

  Language:Python00

• alchemlyb

  the simple alchemistry library

  Language:Python00

• AlGDock

  Molecular docking with Alchemical Interaction Grids

  Language:Jupyter Notebook00

masterwhook's Repositories