AspirinCode / GENiPPILinks
Interface-aware molecular generative framework for protein-protein interaction modulators
☆15Updated 8 months ago
Alternatives and similar repositories for GENiPPI
Users that are interested in GENiPPI are comparing it to the libraries listed below
Sorting:
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- ☆12Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.☆14Updated last year
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 10 months ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Updated 3 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- ☆16Updated 10 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆19Updated 9 months ago
- ☆11Updated last year
- ☆50Updated 3 months ago
- ☆20Updated 2 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- Code for ApoDock☆20Updated 4 months ago
- ☆22Updated 6 months ago
- Official Implementation of CompassDock☆20Updated 10 months ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Updated 2 years ago
- Python rich client for visual protein Sequence to Structure Analysis☆18Updated last week
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆37Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 5 months ago
- ☆30Updated last month
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 9 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Energy minimization post-processing used in PoseBusters☆12Updated 4 months ago
- ☆25Updated last year
- ☆33Updated last year
- Merging, linking and placing compounds by stitching bound compounds together like a reanimated corpse☆13Updated last year
- ☆45Updated 5 months ago
- ☆37Updated 2 months ago