Alternatives and similar repositories for ProFSA

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

• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆67Updated last year
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆30Updated 9 months ago
• bytedance / DecompOpt
  ☆13Updated 8 months ago
• LirongWu / Prompt-DDG
  Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…
  ☆41Updated 8 months ago
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆48Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• HXYfighter / 3DMolFormer
  ICLR 2025 paper: 3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
  ☆24Updated 2 months ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆60Updated 11 months ago
• bowen-gao / SIU
  SIU: A Million-Scale Structural Small Molecule-Protein Interaction Dataset for Unbiased Bioactivity Prediction
  ☆8Updated 4 months ago
• EureKaZhu / DiffAffinity
  Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
  ☆35Updated last year
• lujiarui / esmdiff
  Codebase of paper "Structure Language Models for Protein Conformation Generation" (ICLR'25)
  ☆58Updated 4 months ago
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆31Updated last year
• myprecioushh / ZeroBind
  ☆23Updated last year
• THGLab / LP-PDBBind
  ☆44Updated last year
• WillHua127 / ReactZyme
  Official repository of ReactZyme
  ☆33Updated 8 months ago
• jiaxianyan / DeltaDock
  ☆24Updated 8 months ago
• conghaowang / GLDM
  ☆18Updated 6 months ago
• luost26 / RDE-PPI
  Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
  ☆58Updated last year
• CMACH508 / GLPocket
  ☆18Updated last year
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆39Updated last year
• juanniwu / t-SMILES
  ☆33Updated 2 months ago
• jiaxianyan / BioMiner
  A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature
  ☆49Updated 2 weeks ago
• fengshikun / FradNMI
  ☆23Updated 4 months ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆95Updated last year
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• guanjq / LinkerNet
  The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
  ☆12Updated last year
• wzxxxx / Prompt-MolOpt
  a multi-property optimization method.
  ☆33Updated 6 months ago
• THUNLP-MT / dyMEAN
  This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
  ☆110Updated 4 months ago