luwei0917 / DynamicBindLinks
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
☆270Updated last year
Alternatives and similar repositories for DynamicBind
Users that are interested in DynamicBind are comparing it to the libraries listed below
Sorting:
- Protein Ligand INteraction Dataset and Evaluation Resource☆257Updated 5 months ago
- Inference code for RFdiffusion2☆326Updated this week
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆191Updated last week
- Protein-ligand structure prediction☆233Updated 3 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆310Updated last month
- ☆222Updated last year
- Plausibility checks for generated molecule poses.☆339Updated this week
- 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
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆202Updated 7 months ago
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆239Updated 2 months ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆204Updated 3 months ago
- ☆219Updated 3 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)☆175Updated last week
- Diffusion-based all-atom protein generative model.☆225Updated 2 months ago
- Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)☆223Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆155Updated this week
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆339Updated last week
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆140Updated last year
- ☆140Updated 3 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 last month
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆212Updated this week
- ☆125Updated last year
- Python3 translation of AutoDockTools☆129Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆219Updated last month
- Masif seed paper repository☆164Updated last month
- A compilation of deep learning methods for protein design☆97Updated 3 years ago
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆259Updated last week
- Central repository for biomolecular foundation models with shared trainers and pipeline components☆188Updated last month
- Interface for AutoDock, molecule parameterization☆309Updated 2 weeks ago
- ☆133Updated 4 months ago