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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- PINY cleanup and new feature integration.☆13Dec 9, 2016Updated 9 years ago
- Sampling-based approach to analyse neural networks using TensorFlow☆23Apr 10, 2019Updated 6 years ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆28Updated this week
- Jupyter Notebooks Tutorials on Gaussian Processes☆13Feb 5, 2026Updated last month
- Monte Carlo Simulation for Forecasting Cycle Times with a Python Jupyter Notebook☆11Dec 9, 2022Updated 3 years ago
- 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.
- 🦀 Command line for mrml ✉️☆13Dec 21, 2022Updated 3 years ago
- radiative transfer code, designed for use with CESM/ExoCAM☆11Feb 25, 2026Updated last month
- Automatically exported from code.google.com/p/acpype☆12May 11, 2015Updated 10 years ago
- An Ensemble of Bayesian Neural Networks for Exoplanetary Atmospheric Retrieval☆12Feb 26, 2019Updated 7 years ago
- Python Radiative Transfer Emission Code☆13Sep 27, 2023Updated 2 years ago
- Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"☆24Aug 17, 2023Updated 2 years ago
- python stellar atmosphere and spectrum modeling code☆12Jul 6, 2023Updated 2 years ago
- Repository for the Mapping Stellar Surfaces paper series☆12Mar 31, 2021Updated 4 years ago
- Constrained multivariate least-squares optimizer for scipy☆23Jan 26, 2016Updated 10 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Statistical Mechanics for Chemistry and Biology☆13Mar 23, 2026Updated last week
- Mathematica REPL plugin for IntellyJ IDEA IDE☆14Jun 11, 2018Updated 7 years ago
- A low-level cryptographic library for point, group, field, and scalar operations on a curve isomorphic to the twisted Edwards curve defin…☆13Feb 16, 2022Updated 4 years ago
- Constrained Optimization in Pytorch☆12Feb 25, 2020Updated 6 years ago
- Spectractor aims at measuring the atmospheric transmission from slitless spectrophotometry images.☆16Jan 26, 2026Updated 2 months 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
- 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
- Unsupervised learning of structure in systems of interacting particles.☆13Nov 13, 2023Updated 2 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Aug 3, 2024Updated last year
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- For discussing and aggregating data for force field development☆15Oct 19, 2016Updated 9 years ago
- A bridge between Biotite and OpenMM☆15Mar 16, 2025Updated last year
- A command line application to launch molecular dynamics simulations with OpenMM☆40Apr 7, 2022Updated 3 years ago
- A plugin for repo2docker that outputs a directory with a shell-script and required files☆13Jun 24, 2025Updated 9 months ago
- A free (open source) log monitor / log viewer for a multitude of data sources.☆16May 24, 2024Updated last year
- A collection of Python and LaTeX files to support execution of Python, Mathematica etc. within a LaTeX document.☆12Apr 12, 2025Updated 11 months ago
- ☆16Oct 29, 2020Updated 5 years ago
- Gromacs molecular dynamics simulation analysis scripts☆10Apr 5, 2022Updated 3 years ago
- Atmospheric Retrieval Codes for Exoplanets☆17Jul 13, 2020Updated 5 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Python-centric Cookiecutter for Molecular Computational Chemistry Packages☆453Dec 15, 2025Updated 3 months ago
- Use cloud radiative kernels to compute cloud-induced radiation anomalies☆20Jan 12, 2026Updated 2 months ago
- Implementation of a radiative-convective equilibrium model.☆22Nov 3, 2025Updated 4 months ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Jan 24, 2017Updated 9 years ago
- Complete Python-3 programming tutorials from beginner to advanced level.☆11Jul 28, 2019Updated 6 years ago
- A lightweight Python library for distributed computing on Sun Grid Engines☆21Oct 22, 2020Updated 5 years ago
- Python wrapper for Mie theory libraries used in aerosol radiative calculations☆13Mar 18, 2018Updated 8 years ago