WillHua127 / ReactZyme

Related projects ⓘ

Alternatives and complementary repositories for ReactZyme

• luost26 / RDE-PPI
  Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
  ☆52Updated 4 months ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆24Updated last month
• tiantz17 / PocketAnchor
  Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction
  ☆29Updated last year
• zhengkangjie / ESM-AA
  ☆56Updated 4 months ago
• WillHua127 / EnzymeFlow
  Official repository of EnzymeFlow
  ☆52Updated 2 weeks ago
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆74Updated 11 months ago
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 2 weeks ago
• lujiarui / Str2Str
  Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)
  ☆65Updated 8 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆60Updated 6 months ago
• THGLab / LP-PDBBind
  ☆30Updated 9 months ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆69Updated 6 months ago
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆37Updated 6 months ago
• KyGao / awesome-docking
  An awesome & curated list of docking papers
  ☆77Updated last month
• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆47Updated last month
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆42Updated last year
• alexechu / protpardelle
  ☆66Updated last year
• shichence / ProtSeed
  Source code of the paper "Protein Sequence and Structure Co-Design with Equivariant Translation"
  ☆22Updated last year
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆87Updated last year
• stebliankin / piston
  Evaluating Protein Binding Interfaces with Transformer Networks
  ☆40Updated last year
• wengong-jin / DSMBind
  ☆75Updated 3 weeks ago
• pengzhangzhi / ab_opt
  Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
  ☆51Updated last year
• dakpinaroglu / Frame2seq
  Structure-conditioned masked language modeling for protein sequence design
  ☆58Updated 9 months ago
• lujiarui / esmdiff
  ☆30Updated 2 weeks ago
• wengong-jin / abdockgen
  ☆105Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆28Updated 9 months ago
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆21Updated 2 weeks ago
• jiaxianyan / DeltaDock
  ☆20Updated last month
• EureKaZhu / DiffAffinity
  Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
  ☆28Updated 11 months ago
• smiles724 / ProtMD
  ☆62Updated last year
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆27Updated 8 months ago