dfwlab / cyclicpepediaLinks
☆19Updated last year
Alternatives and similar repositories for cyclicpepedia
Users that are interested in cyclicpepedia are comparing it to the libraries listed below
Sorting:
- ☆79Updated last year
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆84Updated 8 months ago
- De novo drug design with deep interactome learning☆41Updated 6 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆103Updated 4 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 5 months ago
- ☆70Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 2 months ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆65Updated 4 months ago
- A universal structure-directed lead optimization☆63Updated 8 months ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆60Updated last year
- Diffusion model based protein-ligand flexible docking method☆115Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆67Updated 3 weeks ago
- ☆36Updated last year
- ☆16Updated 2 years ago
- ☆129Updated last year
- ☆56Updated 8 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- ☆40Updated 5 months ago
- ☆83Updated 3 weeks ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- my own studied materials and scripts☆58Updated 2 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆159Updated 2 weeks ago
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆16Updated last year
- ☆61Updated 2 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆78Updated 4 months ago
- ☆28Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated 3 weeks ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year