plinder-org / plinderLinks
Protein Ligand INteraction Dataset and Evaluation Resource
☆254Updated 4 months ago
Alternatives and similar repositories for plinder
Users that are interested in plinder are comparing it to the libraries listed below
Sorting:
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆267Updated last year
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆136Updated 11 months ago
- ☆218Updated last year
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆219Updated last year
- Diffusion-based all-atom protein generative model.☆223Updated 2 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆170Updated 2 months ago
- Protein-ligand structure prediction☆229Updated 2 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆308Updated 3 weeks ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆173Updated 7 months ago
- A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…☆175Updated 3 weeks ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆331Updated 2 months ago
- Inference code for RFdiffusion2☆308Updated this week
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆211Updated 2 weeks ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆199Updated last month
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆255Updated last week
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆200Updated 6 months ago
- 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
- Central repository for biomolecular foundation models with shared trainers and pipeline components☆180Updated last month
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆228Updated last month
- A compilation of deep learning methods for protein design☆97Updated 2 years ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆197Updated 2 months ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆250Updated 2 years ago
- Protein-Ligand Benchmark Dataset for Free Energy Calculations☆203Updated last year
- Python3 translation of AutoDockTools☆128Updated last year
- ☆216Updated 2 months ago
- Masif seed paper repository☆160Updated last month
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆151Updated last week
- A generalized computational framework for biomolecular modeling.☆307Updated 2 weeks ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆349Updated last year
- ☆228Updated 2 years ago