Alternatives and similar repositories for Uni-Core:

Users that are interested in Uni-Core are comparing it to the libraries listed below

• luwei0917 / TankBind
  Open source code for TankBind. Galixir Tenchnologies
  ☆153Updated last year
• AlgoMole / MolCRAFT
  Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"
  ☆85Updated 5 months ago
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆83Updated last year
• QizhiPei / FABind
  FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
  ☆124Updated last week
• zjunlp / MolGen
  [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
  ☆153Updated 2 months ago
• MattMcPartlon / AttnPacker
  Code and Pre-Trained Models for "AttnPacker: An end-to-end deep learning method for protein side-chain packing"
  ☆82Updated last year
• KyGao / awesome-docking
  An awesome & curated list of docking papers
  ☆102Updated this week
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆94Updated 3 months ago
• yuewan2 / Retroformer
  ☆46Updated 2 years ago
• igashov / DiffLinker
  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design
  ☆319Updated 10 months ago
• sci-assess / SciAssess
  SciAssess is a comprehensive benchmark for evaluating Large Language Models' proficiency in scientific literature analysis across various…
  ☆71Updated 4 months ago
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆91Updated last year
• sc8668 / RTMScore
  ☆93Updated last year
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆289Updated last year
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆165Updated 3 years ago
• smiles724 / ProtMD
  ☆63Updated 2 years ago
• smiles724 / Molformer
  ☆91Updated 2 years ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆80Updated 10 months ago
• bjing2016 / EigenFold
  EigenFold: Generative Protein Structure Prediction with Diffusion Models
  ☆171Updated last year
• wengong-jin / RefineGNN
  ☆127Updated 2 years ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆118Updated 9 months ago
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆187Updated 2 years ago
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆216Updated 2 years ago
• bytedance / dplm
  Official Implemetation of DPLM (ICML'24) - Diffusion Language Models Are Versatile Protein Learners
  ☆125Updated last week
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆179Updated 3 weeks ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆238Updated last year
• molML / s4-for-de-novo-drug-design
  The official codebase of the paper "Chemical language modeling with structured state space sequence models"
  ☆69Updated 7 months ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆29Updated 5 months ago
• GLAD-RUC / GGNN4Science
  ☆113Updated last week
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆78Updated 7 months ago