Stars
7
Forks
1
Language
Dockerfile
Last Updated
Nov 01, 2023
Similar Repos
| Repo | Language | Stars | Description | Updated At |
|---|---|---|---|---|
| Jupyter Notebook | 5 | Biology and Chemistry Computational Research | Jun 23, 2022 | |
| None | 191 | A primer on software development best practices for computational chemistry | Jul 26, 2022 | |
| Gnuplot | 10 | Computational chemistry with free and open source software | Sep 02, 2022 | |
| HTML | 3 | Computational Law Research and Development | Jul 30, 2021 | |
| Dockerfile | 8 | Dockerfiles for tools commonly used for phylogenetic analyses | Mar 06, 2023 | |
| Dockerfile | 2 | A suite of Docker images used for computational chemistry | Sep 13, 2021 | |
| Python | 14 | A toolkit featured artificial intelligence × ab initio for computational chemistry research. | Feb 16, 2023 | |
| C++ | 2 | Chemistry In A Box: A development kit that provides computational solutions for chemistry-based problems. | Jun 29, 2021 | |
| Python | 25 | Containerised components for cheminformatics and computational chemistry | Aug 21, 2022 | |
| Python | 273 | Parsers and algorithms for computational chemistry logfiles | Apr 24, 2023 | |
| Python | 2 | Parsers and algorithms for computational chemistry logfiles | Mar 28, 2023 | |
| Python | 2 | Parsers and algorithms for computational chemistry logfiles | Mar 13, 2024 | |
| Roff | 9 | Computational chemistry logfiles used as regression tests by cclib | Nov 08, 2022 | |
| Jupyter Notebook | 2 | Jeremy Monat chemistry, cheminformatics software development portfolio | Mar 08, 2023 | |
| Jupyter Notebook | 4 | Computational chemistry tools for daily use | May 20, 2022 | |
| PHP | 4 | Share your commonly used codeblocks and use the community contributions for fast web development. Syntax … | Jan 12, 2022 | |
| Dockerfile | 4 | Dockerfiles used to develop, build, and run MAP software | Mar 18, 2020 | |
| Ruby | 3 | Opinionated development workflow and commonly used tools for Ruby on Rails based development. | Jan 28, 2023 | |
| Python | 7 | Personal scripts, mostly for computational chemistry analysis. | Oct 28, 2022 | |
| Crystal | 19 | Library for dealing with computational chemistry files | Jan 31, 2023 | |
| Dockerfile | 3 | Dockerfiles for CircleCI and development | Apr 15, 2022 | |
| Jupyter Notebook | 2 | A Common Platform for the study related to Bioinformatics, Computational Biology and Computational Chemistry. | Nov 23, 2022 | |
| Dockerfile | 17 | Dockerfiles for development | Dec 23, 2019 | |
| Mathematica | 4 | Errata and code for Introduction to Computational Physical Chemistry Book | Feb 18, 2023 | |
| Python | 17 | tricky problems, but smart solutions for Computational Chemistry | Jan 03, 2023 | |
| Python | 301 | Python-centric Cookiecutter for Molecular Computational Chemistry Packages | Apr 30, 2023 | |
| Python | 2 | A python-based engine for computational chemistry calculations | Mar 28, 2023 | |
| Go | 40 | A bucket of commonly used portable(green) software | Sep 29, 2022 | |
| None | 2 | Bundle of FOSS libraries for javascript and css, commonly used for web development | Jan 09, 2023 | |
| None | 2 | Repository to keep track of commonly used elements of computational workflows, e.g. Nextflow and Cromwell | Apr 09, 2020 | |
| Shell | 4 | Dockerfiles for ICU development | Jul 19, 2022 | |
| Dockerfile | 3 | DockerFiles for retro development | Mar 23, 2022 | |
| C++ | 2 | About The fundamental package for computational chemistry with cpp. | Apr 18, 2023 | |
| Ruby | 145 | Dockerfiles and build toolchain for Puppet software | Sep 03, 2021 | |
| Jupyter Notebook | 5 | A corpus of research software used in COVID-19 research. | Dec 23, 2021 | |
| Python | 9 | Development of star simulator software for star sensor research. | Nov 21, 2022 | |
| Shell | 2 | Scripts and alias commonly used | Nov 28, 2022 | |
| Dockerfile | 46 | Dockerfiles I use for development | Aug 06, 2022 | |
| Shell | 28 | Various Dockerfiles used by the AT&T Community Development Team | Feb 27, 2022 | |
| TypeScript | 2 | Commonly used utilities for JS and TS | Apr 18, 2023 | |
| Python | 3 | A electron density difference calculation and visualization by Python Matplot for computational chemistry | Oct 11, 2021 | |
| Dockerfile | 2 | Various dockerfiles used for WordOps | Mar 14, 2022 | |
| Dockerfile | 2 | Various Dockerfiles used for CI. | Feb 08, 2022 | |
| Python | 12 | A data structure used to describe molecules in computational chemistry, just like numpy in data … | Aug 04, 2022 | |
| JavaScript | 9 | Shorthands for commonly used doctypes | Jun 21, 2021 | |
| PHP | 23 | Commonly used formatters for Behat | Mar 27, 2023 | |
| None | 34 | 🔨 CORTs (Computer Research Tools): Research tools commonly used in computer-related majors such as computer … | Apr 17, 2023 | |
| Python | 6 | Commonly needed Python modules, used by Python software developed at OSRF | Dec 14, 2021 | |
| Fortran | 18 | Massively parallel software for quantum chemistry calculations | May 11, 2022 | |
| Python | 7 | AiiDA plugin for Gaussian quantum chemistry software | Apr 14, 2023 |