npolizzi / CombsLinks
Convergent motifs for binding sites
☆26Updated 2 years ago
Alternatives and similar repositories for Combs
Users that are interested in Combs are comparing it to the libraries listed below
Sorting:
- ☆42Updated last year
- ☆60Updated 3 weeks ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆16Updated last year
- ☆34Updated last year
- ☆81Updated 9 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated last month
- ☆70Updated last year
- Sidechain conditioning and modeling for full-atom protein sequence design☆126Updated 4 months ago
- ☆53Updated 7 months ago
- A universal structure-directed lead optimization☆60Updated 7 months ago
- HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction☆59Updated 11 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆117Updated this week
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆67Updated last week
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 4 months ago
- Utility for building inverse rotamer assemblies out of a Rosetta matcher/enzdes constraint file.☆25Updated 8 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆36Updated 7 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆101Updated 3 months ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆67Updated 4 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆59Updated this week
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years ago
- ☆55Updated 4 months ago
- De novo drug design with deep interactome learning☆40Updated 5 months ago
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Rosetta Funclib☆24Updated 5 years ago
- Diffusion model based protein-ligand flexible docking method☆114Updated last year
- ☆21Updated last year
- ☆69Updated last year
- Official repository of GENzyme☆55Updated 11 months ago
- Convert coarse-grained protein structure to all-atom model☆46Updated 5 months ago