DeepRank / pdb2sqlLinks
Fast and versatile biomolecular structure PDB file parser using SQL queries
☆24Updated 2 years ago
Alternatives and similar repositories for pdb2sql
Users that are interested in pdb2sql are comparing it to the libraries listed below
Sorting:
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 5 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- development repository for PyInteraph2☆22Updated 8 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 4 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last week
- An open-source library for the analysis of protein interactions.☆33Updated 4 years ago
- ☆21Updated 8 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated last week
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- RF-Score-VS binary☆31Updated 7 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Updated 2 years ago
- ☆33Updated last year
- ☆52Updated last year
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago
- ☆45Updated 3 weeks ago
- Modelling protein conformational landscape with Alphafold☆54Updated 3 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated 2 weeks ago
- This repository contains the implementation of a novel machine learning classifier trained on the Dataset of Congruent Inhibitors and Dec…☆23Updated 5 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated 2 weeks ago
- Docking Tool Benchmarking Workflow☆24Updated last year
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 2 years ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆83Updated last month
- PyPEF – Pythonic Protein Engineering Framework☆24Updated 2 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- pyKVFinder: Python-C parallel KVFinder☆29Updated last week