theavey / ParaTempView external linksLinks
A package for molecular dynamics analysis and parallel tempering in GROMACS
☆11May 25, 2021Updated 4 years ago
Alternatives and similar repositories for ParaTemp
Users that are interested in ParaTemp are comparing it to the libraries listed below
Sorting:
- Sampling-based approach to analyse neural networks using TensorFlow☆23Apr 10, 2019Updated 6 years ago
- A collection of Python modules equivalent to R ReQTL Toolkit aims to identify the association between expressed SNVs with their gene expr…☆10Jan 20, 2022Updated 4 years ago
- Web scraper for UniProt and iPTMnet database☆10Jul 12, 2018Updated 7 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Aug 3, 2024Updated last year
- Soft benchmark sets for alchemical free energy calculations, for assessing their accuracy on biomolecular systems☆16Mar 8, 2019Updated 6 years ago
- Gromacs molecular dynamics simulation analysis scripts☆10Apr 5, 2022Updated 3 years ago
- Statistical Mechanics for Chemistry and Biology☆13Updated this week
- Jupyter Notebooks Tutorials on Gaussian Processes☆13Feb 5, 2026Updated last week
- Unsupervised learning of structure in systems of interacting particles.☆13Nov 13, 2023Updated 2 years ago
- md++ code☆13Updated this week
- radiative transfer code, designed for use with CESM/ExoCAM☆11May 20, 2025Updated 8 months ago
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 3 years ago
- Monte Carlo Simulation for Forecasting Cycle Times with a Python Jupyter Notebook☆11Dec 9, 2022Updated 3 years ago
- Browser extension for accessing open data resources in the biomedical domain☆11Jan 8, 2023Updated 3 years ago
- PINY cleanup and new feature integration.☆13Dec 9, 2016Updated 9 years ago
- Complete Python-3 programming tutorials from beginner to advanced level.☆11Jul 28, 2019Updated 6 years ago
- Intro to R for Biology learnr Tutorials☆12Mar 1, 2024Updated last year
- A collection of Python and LaTeX files to support execution of Python, Mathematica etc. within a LaTeX document.☆12Apr 12, 2025Updated 10 months ago
- Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)☆11Apr 29, 2022Updated 3 years ago
- python stellar atmosphere and spectrum modeling code☆12Jul 6, 2023Updated 2 years ago
- R is said to get way faster if you change the BLAS library it is linked to. Is it true?☆10Mar 11, 2021Updated 4 years ago
- ☆10Feb 12, 2025Updated last year
- Hückel model + JAX☆13Oct 13, 2022Updated 3 years ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 years ago
- 🦀 Command line for mrml ✉️☆13Dec 21, 2022Updated 3 years ago
- Differentiably evaluate energies using SMIRNOFF force fields☆19Updated this week
- An Ensemble of Bayesian Neural Networks for Exoplanetary Atmospheric Retrieval☆12Feb 26, 2019Updated 6 years ago
- Contains presentations and schedule for SI Carpentries Brown Bags☆15Aug 30, 2023Updated 2 years ago
- A bridge between Biotite and OpenMM☆15Mar 16, 2025Updated 11 months ago
- Times Square Sampling☆12Feb 24, 2023Updated 2 years ago
- مكتبة جافا سكربت باللغة العربية☆15Mar 4, 2019Updated 6 years ago
- Python Radiative Transfer Emission Code☆13Sep 27, 2023Updated 2 years ago
- Introduction to R for Clinicians for the R/Medicine 2020 Virtual Conference☆11May 7, 2021Updated 4 years ago
- Tool collection to integrate and mix OpenEye and OpenMM☆14Jul 17, 2023Updated 2 years ago
- A plugin for repo2docker that outputs a directory with a shell-script and required files☆13Jun 24, 2025Updated 7 months ago
- ☆16Apr 11, 2023Updated 2 years ago
- ☆13Apr 11, 2019Updated 6 years ago
- A hands-on machine learning course for physics and astronomy PhD students at the University of Glasgow. Courses designed by John Armstron…☆14Feb 18, 2019Updated 7 years ago
- repo for application form templates☆13Jul 10, 2023Updated 2 years ago