junhaiqi / FP-ZernikeLinks
☆15Updated 2 months ago
Alternatives and similar repositories for FP-Zernike
Users that are interested in FP-Zernike are comparing it to the libraries listed below
Sorting:
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆31Updated last month
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- Clusters protein chains based on CA distance difference☆16Updated 6 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆51Updated 3 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆57Updated 3 weeks ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 11 months ago
- Modelling protein conformational landscape with Alphafold☆51Updated this week
- Building more accurate protein structures from backbone torsion angles☆14Updated 5 months ago
- Deep generative modeling of protein structural ensembles☆25Updated 5 months ago
- ☆15Updated 4 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago
- Fast, accurate, and deterministic protein side-chain packing☆33Updated 6 months ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- ☆15Updated this week
- This repository contains a set of scripts for performing singular value decomposition on protein multiple sequence alignments, and analyz…☆11Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆22Updated 10 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆36Updated 2 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- ☆37Updated 3 weeks ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆35Updated last year
- Repo contains source code of the SurfaceID paper☆24Updated last year
- protein structure generation with sparse all-atom denoising models☆35Updated last month
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆15Updated 2 years ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Lightweight induced fit docking☆21Updated 2 years ago
- Structure prediction and design of proteins with noncanonical amino acids☆88Updated last month
- Tutorial files☆11Updated last year
- ☆20Updated 2 years ago
- ☆13Updated 6 months ago
- This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…☆19Updated 8 months ago