baker-laboratory / PLACER
PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.
☆104Updated 2 weeks ago
Alternatives and similar repositories for PLACER:
Users that are interested in PLACER are comparing it to the libraries listed below
- ☆115Updated 5 months ago
- A bunch of shell utilities for dealing the silent files☆56Updated this week
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆152Updated last month
- Sidechain conditioning and modeling for full-atom protein sequence design☆83Updated last month
- ☆91Updated 5 months ago
- Diffusion model based protein-ligand flexible docking method☆102Updated 4 months ago
- ☆111Updated last week
- A compilation of deep learning methods for protein design☆97Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆103Updated this week
- ☆107Updated 7 months ago
- Python3 translation of AutoDockTools☆114Updated 9 months ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆53Updated last month
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆109Updated 4 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆231Updated 10 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆150Updated last month
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆102Updated 4 months ago
- Protein-ligand structure prediction☆212Updated 8 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆56Updated 5 months ago
- Pro-FSFP: Few-Shot Protein Fitness Prediction☆77Updated 2 months ago
- ☆84Updated 5 months ago
- An accurate and trainable end-to-end protein-ligand docking framework☆71Updated this week
- Official repository of EnzymeFlow☆82Updated 3 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆154Updated last week
- ☆74Updated 2 weeks ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆73Updated 9 months ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆68Updated 5 months ago
- ☆100Updated 2 years ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆72Updated 2 weeks ago
- In silico directed evolution of peptide binders with AlphaFold☆153Updated last month
- Official repository of GENzyme☆45Updated 3 months ago