Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists by jaimergp
A curated list of projects in awesome lists by jaimergp .
https://github.com/jaimergp/autodocktools-prepare-py3k
Python 3 fork for the preparation scripts contained in AutoDockTools
Last synced: 23 Oct 2024
https://github.com/jaimergp/easymecp
Python utilities for performing MECP (Minimum Energy Crossing Point) with Gaussian
computational-chemistry gaussian mecp python quantum-chemistry
Last synced: 23 Oct 2024
https://github.com/jaimergp/fixbibtex
Fix BibTeX databases with Crossref metadata
bibtex bibtex-references crossref-api latex python references
Last synced: 23 Oct 2024
https://github.com/jaimergp/prep-mcpb
Prepare a metal-containing structure for parameterization with MCPB.py using UCSF Chimera and AmberTools
Last synced: 23 Oct 2024
https://github.com/jaimergp/covid-berlin
Coronavirus cases in Berlin, by kiez
Last synced: 25 Oct 2024
https://github.com/jaimergp/dmv
Drive Molecule Viewer - The NGL molecule viewer with Google Drive integrations [WIP]
Last synced: 25 Oct 2024
https://github.com/jaimergp/phd-biotechnology-thesis
My PhD dissertation
biotechnology computational-chemistry docking molecular-design molecular-dynamics phd-thesis python
Last synced: 25 Oct 2024
https://github.com/jaimergp/conda-oci-forwarder
Serve OCI/ORAS artifacts from GHCR so conda sees it as a regular HTTP channel.
Last synced: 25 Oct 2024
https://github.com/jaimergp/uab-msc-bioinf
Scientific software development with modern Python
Last synced: 25 Oct 2024
https://github.com/jaimergp/conda-solve-app
A Streamlit app to run and debug conda solves online
Last synced: 25 Oct 2024
https://github.com/jaimergp/conda-subchannel-demo
A demo repository showing how to use conda-subchannel and its Github Action
Last synced: 25 Oct 2024
https://github.com/jaimergp/external-cudatoolkit-shim
[UNSUPPORTED; EXPERIMENTAL] Empty metapackages for CF's `cudatoolkit` to save CI resources
Last synced: 25 Oct 2024
https://github.com/jaimergp/conda-repodata-scraping
History for repodata files in mainstream conda channels
Last synced: 25 Oct 2024
https://github.com/jaimergp/comment-pr-fork
Investigating how to have GHA add comments to a PR opened from a fork
Last synced: 25 Oct 2024
https://github.com/jaimergp/ambertools-updates-tracker
Track update patches for latest ambertools version
Last synced: 25 Oct 2024
https://github.com/jaimergp/computer
Set up a new Ubuntu computer from scratch
Last synced: 25 Oct 2024
https://github.com/jaimergp/smina
Mirror for smina, officially hosted at Sourceforge. Their git server doesn't play well with conda build, so I am mirroring it here to support conda-forge/smina-feedstock
Last synced: 25 Oct 2024
https://github.com/jaimergp/pgaudi
A package for optimize the performance of the GaudiMM suite by external parallelization
Last synced: 25 Oct 2024
https://github.com/jaimergp/dockerized-research
Best practices for reproducible computational research
Last synced: 25 Oct 2024
https://github.com/jaimergp/ghstars
:star: List GitHub Stars for any user(s) or organization(s).
Last synced: 25 Oct 2024
https://github.com/jaimergp/scientific-packaging-glossary
An overview of the existing tools in the conda ecosystem and how they all fit together
Last synced: 25 Oct 2024
https://github.com/jaimergp/conda-build-action
GitHub Action to build conda packages with conda-build :octocat: 📦
Last synced: 25 Oct 2024
https://github.com/jaimergp/ref2bib
Async script to build a BibTeX database out of reference identifiers
Last synced: 25 Oct 2024