KexinZhangResearch / PhysDockLinks
Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction
☆77Updated 3 weeks ago
Alternatives and similar repositories for PhysDock
Users that are interested in PhysDock are comparing it to the libraries listed below
Sorting:
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆56Updated 9 months ago
- ☆55Updated last month
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆65Updated 2 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆100Updated last month
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 2 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.☆34Updated this week
- Diffusion model based protein-ligand flexible docking method☆112Updated 10 months ago
- ☆46Updated 6 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆38Updated this week
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆144Updated this week
- Official repository of GENzyme☆53Updated 9 months ago
- Fully automated high-throughput MD pipeline☆70Updated 2 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 6 months ago
- ☆34Updated last month
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆65Updated 2 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆72Updated last month
- Modelling protein conformational landscape with Alphafold☆52Updated 3 weeks ago
- A universal structure-directed lead optimization☆51Updated 5 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆75Updated 7 months ago
- ☆77Updated last year
- ☆34Updated 2 years ago
- ☆49Updated 2 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 7 months ago
- Making Protein folding accessible to all!☆23Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆37Updated 3 months ago
- Extension of ThermoMPNN for double mutant predictions☆43Updated last month
- GRACE: Generative Renaissance in Artificial Computational Enzyme Design☆19Updated 8 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆54Updated 4 months ago