conda build recipes for the Omnia project
☆24Aug 3, 2021Updated 4 years ago
Alternatives and similar repositories for conda-recipes
Users that are interested in conda-recipes are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Winter is coming...☆14Jan 23, 2019Updated 7 years ago
- Basis sets, estimators and solvers for the variational approach of conformation dynamics. NOTE: the code has been merged with PyEMMA and …☆10Dec 8, 2016Updated 9 years ago
- Tools for estimating and analyzing Markov state models☆41Aug 15, 2022Updated 3 years ago
- A python framework to run adaptive Markov state model (MSM) simulation on HPC resources☆17Aug 1, 2025Updated 10 months ago
- The pytram package is deprecated and no longer supported. We recommend to switch to PyEMMA☆10May 25, 2016Updated 10 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- MD trajectory server☆38Jul 6, 2023Updated 2 years ago
- Automated omics-scale protein modeling and simulation setup.☆53Sep 20, 2021Updated 4 years ago
- JavaScript code for X-ray crystallography applications☆15May 3, 2016Updated 10 years ago
- ☆11Jan 12, 2015Updated 11 years ago
- IPython API to visualize MD-trajectories along projected trajectories inside a Jupyter notebook☆44Feb 14, 2019Updated 7 years ago
- MDAnalysis Tutorial at the 2015 CECAM Macromolecular simulation software workshop☆13Jul 22, 2016Updated 9 years ago
- wwPDB PDBx/mmCIF Dictionary☆10Jun 11, 2026Updated last week
- Design platform for creating single-chain polyhedral cages made from coiled-coil building modules☆24Oct 12, 2017Updated 8 years ago
- Bayesian hidden Markov models toolkit☆48Aug 25, 2020Updated 5 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Single Page Web Application for displaying and studying molecular models☆32Jun 23, 2024Updated last year
- a logistics and persistence engine for the analysis of molecular dynamics trajectories☆30Jan 24, 2020Updated 6 years ago
- Applications of nonequilibrium candidate Monte Carlo (NCMC) to ligand binding mode sampling☆34Nov 12, 2025Updated 7 months ago
- Solvent network analysis. Hop is a python package based on MDAnalysis to analyze solvation dynamics.☆15Sep 20, 2018Updated 7 years ago
- PyEMMA Jupyter Notebooks☆13Jan 28, 2021Updated 5 years ago
- A flexible ALPS/Aprun task bundler☆11Mar 26, 2018Updated 8 years ago
- There's no reason why you should use this plugin anymore. Upgrade pytest and it'll provide you with what this plugin also provided.☆21Dec 11, 2017Updated 8 years ago
- PDBe Programming Interfaces information☆14Jul 23, 2018Updated 7 years ago
- RADICAL Ensemble Toolkit☆29Nov 6, 2025Updated 7 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An R package to call oomycete effectors☆11Aug 31, 2023Updated 2 years ago
- Autodock/Vina plugin for PyMol by Daniel Seeliger☆28Oct 23, 2017Updated 8 years ago
- A Clojure library for deconstructing Korean unicode syllable characters into alphabet characters☆10Nov 22, 2021Updated 4 years ago
- OpenMM testbed for constant-pH methodologies.☆25Sep 20, 2021Updated 4 years ago
- 📦 A Command Line Tool for downloading protein structures, sequences and MSAs☆10Nov 21, 2017Updated 8 years ago
- pure javascript inflate implemented as a through stream☆34Jul 1, 2013Updated 12 years ago
- Simple library for reading trajectory coordinates☆18Oct 5, 2016Updated 9 years ago
- Differentiable molecular simulation of proteins with a coarse-grained potential☆56Apr 3, 2025Updated last year
- Python / C++ based particle reaction-diffusion simulator☆62Mar 29, 2026Updated 2 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- ☆12Mar 26, 2020Updated 6 years ago
- Installable VMD as a python module☆154Jun 10, 2025Updated last year
- Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations☆32May 6, 2024Updated 2 years ago
- A bash script for an automated Rosetta Abinitio folding simulation on an HPC☆11Aug 29, 2020Updated 5 years ago
- A benchmark utility for pytest.☆17Mar 5, 2018Updated 8 years ago
- An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.☆202Jul 6, 2023Updated 2 years ago