Fast and versatile biomolecular structure PDB file parser using SQL queries
☆24Mar 17, 2023Updated 3 years ago
Alternatives and similar repositories for pdb2sql
Users that are interested in pdb2sql are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This repository has been integrated in https://github.com/DeepRank/deeprank2☆147Nov 28, 2023Updated 2 years ago
- Graph Network for protein-protein interface☆122Mar 22, 2024Updated 2 years ago
- ☆10Feb 18, 2020Updated 6 years ago
- ☆10Mar 10, 2023Updated 3 years ago
- Generates consistent PSSM and/or PDB files for protein-protein complexes☆20Jun 26, 2022Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Code for the antibody deep learning paper.☆16Feb 28, 2022Updated 4 years ago
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆15Jan 16, 2026Updated 4 months ago
- Prediction of B-cell epitopes from amino acid sequences using deep neural networks.☆18Sep 7, 2022Updated 3 years ago
- PARCE version 1.0☆12Feb 1, 2021Updated 5 years ago
- PepFun 2.0: improved protocols for the analysis of natural and modified peptides☆29Jul 7, 2023Updated 2 years ago
- Code to accompany "Practical Cheminformatics With Open Source Software"☆16Feb 24, 2022Updated 4 years ago
- DeepSP is an antibody-specific surrogate CNN model that can generate 30 spatial properties of an antibody solely based on their sequences…☆19Feb 23, 2026Updated 2 months ago
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- This is an old archived repository that we keep for our records. Please use recent GENESIS repository and do not use this one.☆11Sep 15, 2022Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- to assess structural quality of RNA using 3D CNN☆15Aug 17, 2018Updated 7 years ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- ☆33Oct 27, 2025Updated 6 months ago
- A peptide string building for expanding chemical dataset combinations.☆12Dec 8, 2024Updated last year
- Extract structure-functions from data using XAI and LLMs☆27Jan 20, 2025Updated last year
- implementation of Franck Farris recipes to produce wallpaper patterns☆10Mar 26, 2024Updated 2 years ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 4 years ago
- This repository contains code for the paper: "Tertiary motifs as building blocks for the design of protein-binding peptides"☆21Jan 15, 2024Updated 2 years ago
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆136Aug 8, 2024Updated last year
- LMetalSite: alignment-free metal ion-binding site prediction from protein sequence through pretrained language model and multi-task learn…☆19Oct 23, 2025Updated 6 months ago
- Transformer for protein function prediction (version 2)☆14Jan 8, 2026Updated 4 months ago
- Python code that takes a SDF file as input to calculate the central nervous system multiparameter optimization (CNS MPO) score☆11Oct 23, 2018Updated 7 years ago
- A platform to do RNA science☆28Mar 7, 2021Updated 5 years ago
- LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories☆13Dec 17, 2022Updated 3 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 years ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆27Nov 27, 2025Updated 5 months ago
- To run metadynamics simulations using openMM (based on Peter Eastman's script)☆13Mar 18, 2019Updated 7 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 years ago
- Public version for DistPepFold☆10Jul 17, 2025Updated 10 months ago
- Predict the structure of immune receptor proteins☆59Nov 8, 2024Updated last year
- An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.☆59Mar 12, 2026Updated 2 months ago
- Machine learning prediction of enzyme optimum pH☆55Apr 29, 2025Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆28Oct 15, 2021Updated 4 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago