Alternatives and similar repositories for chemoenzymatic-askcos

Users that are interested in chemoenzymatic-askcos are comparing it to the libraries listed below

• samgoldman97 / enz-pred
  ☆17Updated 3 years ago
• FelixBaensch / MORTAR
  MOlecule fRagmenTAtion fRamework
  ☆23Updated last week
• Merck / PepSeA
  ☆25Updated 3 years ago
• pnnl / darkchem
  ☆32Updated 7 months ago
• Steinbeck-Lab / coconut
  COCONUT (COlleCtion of Open Natural prodUcTs): A comprehensive platform facilitating natural product research by providing data, tools, a…
  ☆32Updated 3 weeks ago
• coleygroup / desp
  Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search (NeurIPS 2024)
  ☆25Updated 6 months ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆27Updated last month
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 2 months ago
• molML / peptidy
  The official codebase of peptidy, a peptide processing tool for machine learning.
  ☆32Updated 3 months ago
• lucinamay / biosynfoni
  a *biosynformatic* fingerprint to explore natural product distance and diversity
  ☆18Updated last month
• rochoa85 / PepFun
  Bioinformatics and Cheminformatics protocols for peptide analysis
  ☆42Updated 2 years ago
• hesther / enzymemap
  Python package to atom map, correct and suggest enzymatic reactions
  ☆40Updated last year
• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆22Updated 2 weeks ago
• lhm30 / PIDGINv3
  Protein target prediction using random forests and reliability-density neighbourhood analysis
  ☆41Updated 5 years ago
• merlin-ms / awesome-mass-spectral-libraries
  ☆20Updated last year
• daenuprobst / theia
  ☆19Updated last year
• knu-lcbc / MolForge
  ☆24Updated 2 years ago
• viko-3 / TargetGAN
  ☆27Updated 2 years ago
• Boehringer-Ingelheim / pyPept
  pyPept: a python library to generate atomistic 2D and 3D representations of peptides
  ☆73Updated 11 months ago
• jamesgleave / Deep-Docking-NonAutomated
  ☆51Updated 2 years ago
• moltools / CineMol
  Direct-to-SVG small molecule drawer.
  ☆27Updated 5 months ago
• bio-hpc / metascreener
  Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.
  ☆26Updated last week
• volkamerlab / kissim
  Subpocket-based fingerprint for kinase pocket comparison
  ☆34Updated last year
• QVina / QVina.github.io
  The code for the QuickVina homepage.
  ☆33Updated 2 years ago
• willfinnigan / RetroBioCat
  ☆25Updated 2 years ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆17Updated 2 months ago
• MolecularAI / PepINVENT
  ☆43Updated 4 months ago
• lhm30 / PIDGINv2
  PIDGIN Version 2: Prediction IncluDinG INactivity: Version 2 (LEGACY VERSION)
  ☆31Updated 6 years ago
• czodrowskilab / VSFlow
  ☆92Updated 5 months ago
• whymin / HOB
  Machine learning model for predicting Human Oral Bioavailability
  ☆13Updated 3 years ago