BioinfoMachineLearning / PoseBenchLinks
Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
☆170Updated 2 months ago
Alternatives and similar repositories for PoseBench
Users that are interested in PoseBench are comparing it to the libraries listed below
Sorting:
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆219Updated last year
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆200Updated 6 months ago
- ☆218Updated last year
- Protein Ligand INteraction Dataset and Evaluation Resource☆254Updated 4 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆136Updated 11 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆151Updated last week
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆113Updated last month
- Protein-ligand structure prediction☆229Updated 2 months ago
- An awesome & curated list of docking papers☆117Updated 7 months ago
- Diffusion-based all-atom protein generative model.☆223Updated 2 months ago
- Central repository for biomolecular foundation models with shared trainers and pipeline components☆180Updated last month
- ☆216Updated 2 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆267Updated last year
- ☆133Updated 4 months ago
- ☆121Updated 4 months ago
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆120Updated 8 months ago
- Official repository for the Deep Docking protocol☆123Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆133Updated 3 months ago
- ☆94Updated last year
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆186Updated 3 years ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆197Updated 2 months ago
- Masif seed paper repository☆160Updated last month
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆110Updated 2 years ago
- Diffusion model based protein-ligand flexible docking method☆114Updated 11 months ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆213Updated 3 months ago
- A generalized computational framework for biomolecular modeling.☆307Updated last week
- ☆107Updated 2 years ago
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆228Updated last month
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆255Updated last week
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆114Updated last year