npolizzi / Combs
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:
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆57Updated 6 months ago
- Convert coarse-grained protein structure to all-atom model☆38Updated 10 months ago
- ☆37Updated last year
- Sidechain conditioning and modeling for full-atom protein sequence design☆101Updated 2 months ago
- Rosetta Funclib☆20Updated 5 years ago
- ☆58Updated last year
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆55Updated 2 months ago
- A bunch of shell utilities for dealing the silent files☆61Updated last month
- ☆13Updated 2 years ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆12Updated 10 months ago
- ☆24Updated 2 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆32Updated last month
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆32Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- Official repository of GENzyme☆49Updated 5 months ago
- ☆23Updated last year
- ☆32Updated last year
- ☆68Updated 10 months ago
- ☆28Updated last month
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 3 months ago
- ☆49Updated last month
- ☆25Updated 8 months ago
- ☆80Updated 2 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated 11 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆44Updated last week
- ☆65Updated last year
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆42Updated 5 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆45Updated last month
- ☆23Updated last month
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago