A lightweight pure python package for reading, writing and manipulating mmCIF files distributed by the wwPDB"
☆38Oct 30, 2023Updated 2 years ago
Alternatives and similar repositories for pdbecif
Users that are interested in pdbecif are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- pyKVFinder: Python-C parallel KVFinder☆37May 15, 2026Updated last week
- mmCIF Core Access Library☆50May 17, 2026Updated last week
- Convert PDB residues to their Uniprot equivalents☆17Mar 31, 2020Updated 6 years ago
- Python library and CLI for submitting jobs to JPred - A Protein Secondary Structure Prediction Server☆10Sep 23, 2018Updated 7 years ago
- ☆12Oct 9, 2024Updated last year
- 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.
- parKVFinder: thread-level parallel KVFinder☆16May 9, 2025Updated last year
- ☆49Apr 14, 2026Updated last month
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆33Jan 22, 2026Updated 4 months ago
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 3 months ago
- Predicting the effect of mutations on protein stability using a simple orientational potential.☆20Jul 5, 2024Updated last year
- Source code of the ChEMBL web services.☆17Mar 13, 2019Updated 7 years ago
- Implementation grünif.ai: Interactive multi-parameter optimization of molecules in a continuous vector space☆31Jan 5, 2023Updated 3 years ago
- Improved ab initio protein structure reconstruction☆15Mar 7, 2018Updated 8 years ago
- Interactive Python notebooks for PDBe API training☆61Apr 28, 2026Updated 3 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Python package for handling IHM mmCIF and BinaryCIF files☆18May 9, 2026Updated 2 weeks ago
- mmCIF-based extension dictionary for computed structure models☆24Feb 5, 2026Updated 3 months ago
- Real-time structure motif searching in protein 3D structures using an inverted index strategy☆14Jul 19, 2025Updated 10 months ago
- This repository contains the AlphaCutter.py for the removal of non-globular regions from predicted protein structures.☆15Jul 25, 2023Updated 2 years ago
- Metal and Water prediction☆14Feb 5, 2025Updated last year
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆42Jul 11, 2024Updated last year
- Calculation of interatomic interactions in molecular structures☆132Sep 3, 2024Updated last year
- Building more accurate protein structures from backbone torsion angles☆15Mar 21, 2025Updated last year
- Webserver & command-line tool for search of APO (unbound) protein structures from HOLO (bound) forms and vice versa. http://apoholo.cz☆19Jun 14, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- SIMD instructions for faster distance calculations.☆25Apr 7, 2026Updated last month
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- A Rust library for calculating the SASA for a protein. 5x faster than Freesasa. Based on the Shrake & Rupley algorithm.☆20Updated this week
- Python package for site-directed spin labeling of proteins☆14May 19, 2026Updated last week
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- Calculation of interatomic interactions in molecular structures☆89Mar 5, 2026Updated 2 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆36Nov 18, 2023Updated 2 years ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- 📐 Symmetry-corrected RMSD in Python☆115Apr 27, 2026Updated 3 weeks ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆18Mar 13, 2024Updated 2 years ago
- PDBFixer fixes problems in PDB files☆647Mar 10, 2026Updated 2 months ago
- Virtual screening and cheminformatics utilities☆14Jan 20, 2016Updated 10 years ago
- This is the first model that can simultaneously predict the RMSD of the ligand docking pose and the binding strength against the target.☆21Jan 4, 2025Updated last year
- Bias-controlled 3D generative framework for structure-based ligand design☆17Nov 2, 2022Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆22Sep 20, 2021Updated 4 years ago
- pdbx is a parser module in python for structures of the protein data bank in the mmcif format☆31Aug 9, 2024Updated last year