Simple library for reading trajectory coordinates
☆18Oct 5, 2016Updated 9 years ago
Alternatives and similar repositories for simpletraj
Users that are interested in simpletraj are comparing it to the libraries listed below
Sorting:
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- wwPDB PDBx/mmCIF Dictionary☆10Jan 28, 2026Updated last month
- MemSurfer is a software tool to compute bilayer membrane surfaces.☆27May 23, 2024Updated last year
- Optimization tool for calibrating coarse-grained force fields of lipids, relying on the simultaneous usage of reference AA trajectories (…☆10Jun 6, 2023Updated 2 years ago
- The javascript implementation of the MMTF format.☆11Jun 26, 2017Updated 8 years ago
- Virtual screening and cheminformatics utilities☆14Jan 20, 2016Updated 10 years ago
- A Python toolkit for the analyis of lipid membrane simulations☆34Oct 24, 2025Updated 4 months ago
- Databases and Interoperability in Quantum Chemistry☆13Feb 15, 2018Updated 8 years ago
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆18Dec 9, 2025Updated 2 months ago
- persistent, pythonic trees for heterogeneous data☆33May 20, 2022Updated 3 years ago
- MD trajectory server☆35Jul 6, 2023Updated 2 years ago
- Molecular Query Language☆35Jun 24, 2024Updated last year
- Benchmarking common tasks on proteins in various languages and packages☆42Dec 27, 2020Updated 5 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆40Jul 6, 2021Updated 4 years ago
- Utilities for working with the RDKit☆20Sep 5, 2016Updated 9 years ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Oct 11, 2021Updated 4 years ago
- Protein-Protein Docking using Genetic Algorithm☆20Feb 8, 2026Updated 2 weeks ago
- Essential Cheminformatics☆23May 25, 2010Updated 15 years ago
- The python implementation of the MMTF API, decoder and encoder.☆46Jul 7, 2022Updated 3 years ago
- FreeSASA Python Module☆60Aug 4, 2025Updated 6 months ago
- Main code repository for FATSLiM☆23Feb 13, 2022Updated 4 years ago
- A framework for rapidly mining structural information from the Protein Data Bank☆53Jun 2, 2020Updated 5 years ago
- BinaryCIF is a data format for storing text based CIF files using a more efficient binary encoding.☆30Oct 14, 2024Updated last year
- conda build recipes for the Omnia project☆24Aug 3, 2021Updated 4 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆32May 22, 2025Updated 9 months ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- Describe and apply transformation on molecular structures and topologies☆139Updated this week
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 7 months ago
- APBS - software for biomolecular electrostatics and solvation☆132Jul 27, 2020Updated 5 years ago
- Python interface of cpptraj☆188Jan 20, 2026Updated last month
- MMTSB Tool Set☆33Jan 26, 2026Updated last month
- pKa estimates for proteins using an ensemble approach☆29Jul 11, 2025Updated 7 months ago
- STORMM: Structure and TOpology Replica Molecular Mechanics☆83Sep 11, 2025Updated 5 months ago
- Create macromolecular images☆33Apr 7, 2025Updated 10 months ago
- Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, …☆75Sep 11, 2021Updated 4 years ago
- Automatic MARTINI parametrization of small organic molecules☆72May 28, 2025Updated 9 months ago
- A repo for analysis of ensembles of protein-ligand complexes☆30Jan 22, 2026Updated last month
- Single Page Web Application for displaying and studying molecular models☆31Jun 23, 2024Updated last year
- Python SDK and examples for the RSpace API☆17Oct 29, 2025Updated 4 months ago