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:
- ☆41Updated last year
- Sidechain conditioning and modeling for full-atom protein sequence design☆115Updated last month
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆66Updated this week
- De novo drug design with deep interactome learning☆36Updated 2 months ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆62Updated last month
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆61Updated last month
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆93Updated 4 months ago
- ☆49Updated 2 weeks ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆15Updated last year
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆60Updated last month
- ☆72Updated 6 months ago
- A bunch of shell utilities for dealing the silent files☆65Updated 2 months ago
- Diffusion model based protein-ligand flexible docking method☆108Updated 9 months ago
- Convert coarse-grained protein structure to all-atom model☆41Updated 2 months ago
- ☆28Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆51Updated 3 months ago
- A universal structure-directed lead optimization☆45Updated 4 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 4 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- ☆37Updated last year
- ☆76Updated last year
- ☆67Updated last year
- HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction☆60Updated 8 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆139Updated last month
- Official repository of GENzyme☆53Updated 8 months ago
- ☆44Updated last month
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆56Updated 7 months ago
- ☆35Updated 3 weeks ago
- ☆29Updated 11 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated last year