Alternatives and similar repositories for Uni-Core

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

• GenSI-THUAIR / MolCRAFT
  Official repository for MolCRAFT series
  ☆113Updated last month
• luwei0917 / TankBind
  Open source code for TankBind. Galixir Tenchnologies
  ☆161Updated last year
• zjunlp / MolGen
  [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
  ☆174Updated 8 months ago
• QizhiPei / FABind
  FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
  ☆134Updated last month
• smiles724 / Molformer
  ☆96Updated 2 months ago
• lsj2408 / Transformer-M
  [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)
  ☆214Updated 2 years ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆120Updated 8 months ago
• smiles724 / ProtMD
  ☆64Updated 2 months ago
• MolecularAI / Chemformer
  ☆264Updated 4 months ago
• yuewan2 / Retroformer
  ☆48Updated 3 years ago
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆90Updated last year
• deepmodeling / Uni-Fold
  ☆92Updated last year
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆103Updated last year
• hwwang55 / MolR
  Chemical-Reaction-Aware Molecule Representation Learning
  ☆80Updated 3 years ago
• KyGao / awesome-docking
  An awesome & curated list of docking papers
  ☆113Updated 5 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated last year
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆88Updated 4 months ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆284Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆124Updated last year
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆108Updated 2 years ago
• chao1224 / ProteinDT
  A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)
  ☆91Updated 7 months ago
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆96Updated 2 years ago
• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆90Updated 3 months ago
• DeepGraphLearning / ConfGF
  Implementation of Learning Gradient Fields for Molecular Conformation Generation (ICML 2021).
  ☆169Updated 3 years ago
• pengxingang / Pocket2Mol
  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
  ☆332Updated last year
• bjing2016 / EigenFold
  EigenFold: Generative Protein Structure Prediction with Diffusion Models
  ☆177Updated 2 years ago
• tencent-ailab / MDM
  MDM
  ☆55Updated last year
• bytedance / DecompDiff
  The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)
  ☆65Updated 2 years ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆35Updated last month
• deepmodeling / SciAssess
  SciAssess is a comprehensive benchmark for evaluating Large Language Models' proficiency in scientific literature analysis across various…
  ☆80Updated 3 months ago