pdebuyl-lab / tidynamicsView external linksLinks
A tiny package to compute the dynamics of stochastic and molecular simulations
☆31Jul 11, 2023Updated 2 years ago
Alternatives and similar repositories for tidynamics
Users that are interested in tidynamics are comparing it to the libraries listed below
Sorting:
- Python bindings for TNG file format☆13Oct 14, 2025Updated 4 months ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 years ago
- Accelerated sampling framework with autoencoder-based method☆23Sep 7, 2019Updated 6 years ago
- A comprehensive tool for analyzing liquid solvation structure.☆54Nov 26, 2025Updated 2 months ago
- a quick primer on making prettier (and more impactful) plots☆14Sep 27, 2015Updated 10 years ago
- Molecular kaleidoscope☆15Apr 11, 2018Updated 7 years ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆35Jan 29, 2026Updated 2 weeks ago
- Generate 3D transition state geometries with GNNs☆14Oct 13, 2020Updated 5 years ago
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Jan 12, 2021Updated 5 years ago
- Program for robust fitting of bonded Molecular Mechanics parameters☆15Jun 30, 2015Updated 10 years ago
- A Python package to compute and analyze transport properties.☆16Jul 27, 2025Updated 6 months ago
- Access to data for workshops and extended tests of MDAnalysis.☆19Sep 25, 2024Updated last year
- An extension to the MDAnalysis library providing support for dealing with structural ensembles. There is currently support for calculatin…☆16Jul 20, 2018Updated 7 years ago
- Symbiotic computational chemistry; Public repository.☆20Jan 12, 2018Updated 8 years ago
- Extended XYZ specification and parsers☆23Nov 1, 2025Updated 3 months ago
- An efficient, multithreaded weighted histogram analysis (WHAM) implementation for the post-processing of umbrella MD simulations.☆28Apr 1, 2024Updated last year
- Weighted Ensemble simulation framework in Python☆59Jan 22, 2026Updated 3 weeks ago
- Using knowledge-guided machine learning to assess patterns of areal change in waterbodies across the contiguous US☆10Mar 28, 2024Updated last year
- Linear implementation of DFT calculations (CPU and GPU)☆28Sep 10, 2025Updated 5 months ago
- User Guide for MDAnalysis☆29Feb 6, 2026Updated last week
- An open source Python framework for transition interface and path sampling calculations.☆116Dec 15, 2025Updated last month
- Parallel algorithms for MDAnalysis☆31Aug 2, 2024Updated last year
- Materials for the 2021 PRACE Workshop @ SurfSARA☆30Nov 11, 2021Updated 4 years ago
- MDAnalysis tool to calculate membrane curvature.☆35Jul 25, 2025Updated 6 months ago
- general purpose coarse-grained molecular dynamics simulation package☆35Jan 27, 2023Updated 3 years ago
- Python implementation of the multistate Bennett acceptance ratio (MBAR)☆292Oct 16, 2025Updated 3 months ago
- Computing representations for atomistic machine learning☆76Feb 4, 2026Updated last week
- Reads Gromacs EDR file to populate a pandas dataframe☆33Oct 12, 2025Updated 4 months ago
- Molecular Dynamics in the Open☆86Oct 27, 2025Updated 3 months ago
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- Partitioning eddy covariance ET using optimal approaches☆10May 11, 2019Updated 6 years ago
- Adaptive string method implementation in AmberTools23 and Amber22☆14Jan 7, 2025Updated last year
- Example python scripts to detect flash drought events from gridded soil moisture data☆12Apr 6, 2024Updated last year
- Python SDK and examples for the RSpace API☆17Oct 29, 2025Updated 3 months ago
- ☆10Sep 13, 2025Updated 5 months ago
- persistent, pythonic trees for heterogeneous data☆33May 20, 2022Updated 3 years ago
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆54Updated this week
- Package for consistent reporting of relative free energy results☆41Jan 30, 2026Updated 2 weeks ago
- ☆10Jul 5, 2025Updated 7 months ago