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:
- The javascript implementation of the MMTF format.☆11Jun 26, 2017Updated 8 years ago
- MemSurfer is a software tool to compute bilayer membrane surfaces.☆27May 23, 2024Updated last year
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- 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
- Benchmarking common tasks on proteins in various languages and packages☆42Dec 27, 2020Updated 5 years ago
- A package for deriving coarse-grain potentials using MultiState Iterative Boltzmann Inversion (MS-IBI)☆18Mar 14, 2026Updated last week
- Molecular Query Language☆35Jun 24, 2024Updated last year
- wwPDB PDBx/mmCIF Dictionary☆10Updated this week
- MD trajectory server☆35Jul 6, 2023Updated 2 years 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
- persistent, pythonic trees for heterogeneous data☆33May 20, 2022Updated 3 years ago
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆40Jul 6, 2021Updated 4 years ago
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- FreeSASA Python Module☆60Aug 4, 2025Updated 7 months ago
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 7 months ago
- Hacks to make slack more usable☆12Oct 19, 2024Updated last year
- Visualization tool for changing networks☆20May 11, 2018Updated 7 years ago
- model builder for molecular dynamics simulations☆16Feb 16, 2023Updated 3 years ago
- ☆20Sep 24, 2016Updated 9 years ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Oct 11, 2021Updated 4 years ago
- Dockerized Python3 Jupyter/ipyparallel cluster☆11Sep 20, 2021Updated 4 years ago
- Add conda activation to an IPython kernel spec☆10Mar 12, 2019Updated 7 years ago
- Databases and Interoperability in Quantum Chemistry☆13Feb 15, 2018Updated 8 years ago
- pure javascript inflate implemented as a through stream☆33Jul 1, 2013Updated 12 years ago
- Easy to use configuration and parser.☆14May 1, 2021Updated 4 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 years ago
- Analysis and design of protein-protein or protein-peptide interactions based on atlas database.☆15Sep 27, 2022Updated 3 years ago
- Python SDK and examples for the RSpace API☆17Oct 29, 2025Updated 4 months ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆32May 22, 2025Updated 9 months ago
- metallocage construction and binding affinity calculations☆16May 30, 2023Updated 2 years ago
- CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction☆27Feb 27, 2026Updated 3 weeks ago
- Multi-Task Topological Laplacian deep learning model that predicts binding free energy changes upon mutation☆13Dec 13, 2024Updated last year
- ☆13Feb 13, 2023Updated 3 years ago
- JavaScript code for X-ray crystallography applications☆15May 3, 2016Updated 9 years ago
- Methods for estimating intrinsic dimension and methods for generating data on manifolds☆12May 23, 2019Updated 6 years ago
- GROM is a GROMACS(mdp,itp,top) files with Syntax Highlighting and PDB Editor with visual cues in one package based on Qt5,PyQt5 and Pyth…☆11Nov 14, 2016Updated 9 years ago
- Describe and apply transformation on molecular structures and topologies☆140Mar 5, 2026Updated 2 weeks ago