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 7 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆115Updated last month
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 8 months ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆24Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆45Updated 2 months ago
- FreeSASA Python Module☆59Updated 5 months ago
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆31Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆85Updated 2 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated 2 months ago
- Modelling protein conformational landscape with Alphafold☆54Updated 4 months ago
- Fast, accurate, and deterministic protein side-chain packing☆37Updated 10 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated 3 weeks ago
- Efficient manipulation of protein structures in Python☆61Updated 3 months ago
- PyPEF – Pythonic Protein Engineering Framework☆25Updated 4 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆57Updated this week
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 10 months ago
- Calculation of interatomic interactions in molecular structures☆84Updated 4 years ago
- ☆32Updated last year
- An open-source library for the analysis of protein interactions.☆33Updated 4 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated last month
- Updated version of Silicos-it's shape-based alignment tool☆47Updated 4 months ago
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 9 months ago
- ☆47Updated 2 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated this week
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Updated 2 years ago
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆34Updated last year
- 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