BioinfoMachineLearning / PoseBenchLinks
Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
☆158Updated 2 months ago
Alternatives and similar repositories for PoseBench
Users that are interested in PoseBench are comparing it to the libraries listed below
Sorting:
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆122Updated 6 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆246Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆123Updated this week
- Protein Ligand INteraction Dataset and Evaluation Resource☆223Updated last month
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆182Updated last month
- Protein-ligand structure prediction☆216Updated 10 months ago
- ☆113Updated 9 months ago
- Diffusion-based all-atom protein generative model.☆198Updated 3 months ago
- Diffusion model based protein-ligand flexible docking method☆105Updated 7 months ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆165Updated last week
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆206Updated last year
- Plausibility checks for generated molecule poses.☆286Updated this week
- ☆200Updated 8 months ago
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆167Updated 8 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆91Updated last month
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆187Updated 2 months ago
- Protein-Ligand Benchmark Dataset for Free Energy Calculations☆179Updated 10 months ago
- Multi-domain Distribution Learning for De Novo Drug Design☆87Updated 2 months ago
- ☆94Updated this week
- ☆89Updated 7 months ago
- Official repository for the Deep Docking protocol☆120Updated last year
- Plugin for folding sequences directly in PyMOL☆97Updated 3 months ago
- An accurate and trainable end-to-end protein-ligand docking framework☆89Updated 2 months ago
- Official repository of EnzymeFlow☆92Updated 5 months ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆171Updated 3 months ago
- An awesome & curated list of docking papers☆111Updated 2 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆86Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆108Updated 3 months ago
- A compilation of deep learning methods for protein design☆97Updated 2 years ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆186Updated 2 weeks ago