Alternatives and similar repositories for unimol_tools

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

• deepforestsci / chemberta3
  ChemBERTa-3 Repo
  ☆24Updated 6 months ago
• wenhao-gao / mol-opt
  Mol-Opt: a toolbox for molecular design
  ☆23Updated last year
• MarieOestreich / DrugDiff
  ☆49Updated 9 months ago
• SigmaGenX / TamGen
  ☆40Updated 6 months ago
• swansonk14 / chemfunc
  Useful functions for working with small molecules
  ☆56Updated 3 months ago
• jiaxianyan / BioMiner
  A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
  ☆63Updated this week
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆66Updated 5 months ago
• JacksonBurns / chemeleon
  CheMeleon Descriptor-based Foundation Model
  ☆96Updated last week
• coleygroup / Graph2SMILES
  ☆64Updated 2 years ago
• OdinZhang / AI-Physics-DrugDiscovery
  my own studied materials and scripts
  ☆58Updated 2 months ago
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆56Updated 10 months ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆67Updated 11 months ago
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆72Updated 9 months ago
• shukai1997 / VSDS-VD
  benchmarking AI-powered docking methods from the perspective of virtual screening
  ☆30Updated last year
• coleygroup / shepherd
  Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…
  ☆83Updated 3 weeks ago
• recursionpharma / mole_public
  Recursion's molecular foundation model
  ☆64Updated 6 months ago
• DrugBud-Suite / DockM8
  All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
  ☆50Updated last month
• Augmented-Nature / ChEMBL-MCP-Server
  A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.
  ☆72Updated last week
• mindrank-ai / PharmaBench
  ☆52Updated last year
• jkwang93 / Token-Mol
  Token-Mol 1.0：tokenized drug design with large language model
  ☆59Updated 3 weeks ago
• luost26 / ChemProjector
  Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)
  ☆57Updated last week
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆54Updated 2 years ago
• THGLab / SynLlama
  Code Space of SynLlama
  ☆40Updated 2 weeks ago
• dptech-corp / Uni-Dock2
  GPU-accelerated molecular docking software: Uni-Dock 2
  ☆44Updated this week
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆32Updated last year
• Coughy1991 / Reaction_condition_recommendation
  Code for training machine learning model for reaction condition prediction
  ☆46Updated 5 years ago
• WangZiXubiubiu / SketchMol-v1
  Official implementation of SketchMol.
  ☆31Updated 10 months ago
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆31Updated 3 years ago
• coleygroup / DiffMS
  ☆98Updated 5 months ago