NRGlab / SurfacesLinks
☆15Updated 3 months ago
Alternatives and similar repositories for Surfaces
Users that are interested in Surfaces are comparing it to the libraries listed below
Sorting:
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated last year
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆13Updated 2 years ago
- Physical energy function for protein sequence design☆34Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 3 weeks ago
- Code for ApoDock☆21Updated 8 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 9 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆30Updated 3 months ago
- Some scripts that I keep using over and over.☆21Updated 5 months ago
- ☆27Updated 2 weeks ago
- ☆13Updated 2 years ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆35Updated 2 years ago
- Clusters protein chains based on CA distance difference☆16Updated 10 months ago
- development repository for PyInteraph2☆22Updated 9 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Updated last year
- ☆21Updated 2 years ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 5 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 3 weeks ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆18Updated 4 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 6 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 4 months ago
- Code for deep learning guided design of dynamic proteins☆31Updated last year
- ☆22Updated 8 months ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆28Updated 2 weeks ago
- Explicit crosslinks in AlphaFold 3☆23Updated 9 months ago
- ProteinDesign with RFdiffusion and ProteinMPNN/LigandMPNN☆22Updated 9 months ago
- Analysis of contacts in molecular dynamics trajectories☆45Updated 6 years ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆33Updated last year