cddlab / boltz_extLinks
☆13Updated last month
Alternatives and similar repositories for boltz_ext
Users that are interested in boltz_ext are comparing it to the libraries listed below
Sorting:
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆82Updated 3 weeks ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆66Updated 3 months ago
- ☆51Updated 7 months ago
- ☆40Updated 7 months ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆60Updated 10 months ago
- Quick mapping of Uniprot sequences to PDB structures☆34Updated 6 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆40Updated 2 weeks ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆114Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 7 months ago
- ☆42Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 2 weeks ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆42Updated 4 months ago
- A universal structure-directed lead optimization☆56Updated 7 months ago
- ☆65Updated last week
- ☆77Updated last year
- ☆38Updated 3 months ago
- Official repository for the paper "Peptide design through binding interface mimicry with PepMimic" accepted by Nature Biomedical Engineer…☆18Updated last week
- Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2☆63Updated 3 weeks ago
- Official repository of GENzyme☆55Updated 11 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆76Updated 2 months ago
- ☆60Updated last week
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆56Updated 5 months ago
- PoseX: A Molecular Docking Benchmark☆52Updated 3 months ago
- A benchmark for 3D biomolecular structure prediction models☆66Updated 5 months ago
- Utility for building inverse rotamer assemblies out of a Rosetta matcher/enzdes constraint file.☆25Updated 7 months ago
- ☆33Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆61Updated 3 months ago
- ☆69Updated last year