Alternatives and similar repositories for chemeleon

Users that are interested in chemeleon are comparing it to the libraries listed below

• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆64Updated 6 months ago
• dptech-corp / Uni-pKa
  The official repository of Uni-pKa
  ☆86Updated 8 months ago
• MarieOestreich / DrugDiff
  ☆49Updated 8 months ago
• Aouidate / Chemoinformatics-compiliation
  In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them
  ☆32Updated 9 months ago
• CDDLeiden / QSPRpred
  A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.
  ☆80Updated last month
• molecularinformatics / Computational-ADME
  ☆96Updated last year
• molecularinformatics / roshambo
  ☆91Updated last year
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 9 months ago
• Xundrug / MolGpKa
  The graph-convolutional neural network for pka prediction
  ☆91Updated last year
• mqcomplab / iSIM
  Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…
  ☆59Updated 3 weeks ago
• JanoschMenke / metis
  Python-based GUI to collect Feedback of Chemist in Molecules
  ☆53Updated last year
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆65Updated 10 months ago
• mayrf / pkasolver
  toolkit for prediction pKa values of small molecules via graph convolutional networks
  ☆69Updated 2 years ago
• durrantlab / dimorphite_dl
  Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range
  ☆52Updated 3 months ago
• PatWalters / practical_cheminformatics_posts
  Practical Cheminformatics Blog Posts
  ☆67Updated this week
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆83Updated 11 months ago
• yboulaamane / awesome-drug-discovery
  A meticulously curated resource list focused on computational methods for drug discovery.
  ☆88Updated 3 weeks ago
• DrrDom / rdkit-scripts
  rdkit scripts making life easier
  ☆75Updated last week
• HoffOskar / ML_From_Scratch
  Creating machine learning algorithms from scratch
  ☆18Updated 7 months ago
• osmoai / osmordred
  Mordred port in cpp
  ☆50Updated 9 months ago
• asapdiscovery / asapdiscovery
  Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
  ☆45Updated 2 months ago
• Augmented-Nature / ChEMBL-MCP-Server
  A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.
  ☆70Updated last month
• JacksonBurns / fastprop
  Fast Molecular Property Prediction with mordredcommunity
  ☆55Updated 2 months ago
• datamol-io / medchem
  Molecular filtering for drug discovery.
  ☆70Updated 6 months ago
• Exscientia / molflux
  A foundational package for molecular predictive modelling
  ☆94Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆83Updated last week
• cimm-kzn / 3D-MIL-QSAR
  Conformer multi-instance machine Learning
  ☆59Updated 2 months ago
• JacksonBurns / mordred-community
  Community-Maintained Version of mordred
  ☆89Updated last week
• schrodinger / public_binding_free_energy_benchmark
  The public versio
  ☆73Updated 2 years ago