j
jaimergp
258 repositories
255 followers
Repositories
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autodocktools-prepare-py3k
Python 3 fork for the preparation scripts contained in AutoDockTools
Python
20
6
1
Updated 2 months ago
public
easymecp
Python utilities for performing MECP (Minimum Energy Crossing Point) with Gaussian
Python
18
9
4
Updated a month ago
public
fixbibtex
Fix BibTeX databases with Crossref metadata
Python
9
1
5
Updated 7 months ago
public
prep-mcpb
Prepare a metal-containing structure for parameterization with MCPB.py using UCSF Chimera and AmberTools
Python
9
5
4
Updated 2 months ago
public
conda-rattler-solver
Python
5
1
1
Updated 9 months ago
public
covid-berlin
Coronavirus cases in Berlin, by kiez
HTML
4
0
0
Updated 5 years ago
public
dmv
Drive Molecule Viewer - The NGL molecule viewer with Google Drive integrations [WIP]
HTML
3
1
2
Updated 3 years ago
public
conda-solve-app
A Streamlit app to run and debug conda solves online
Python
2
0
0
Updated 3 months ago
public
uab-msc-bioinf
Scientific software development with modern Python
Jupyter Notebook
2
1
0
Updated 6 months ago
public
conda-oci-forwarder
Serve OCI/ORAS artifacts from GHCR so conda sees it as a regular HTTP channel.
Python
2
0
0
Updated 4 months ago
public
phd-biotechnology-thesis
My PhD dissertation
Python
2
1
0
Updated 4 years ago
public
conda-subchannel-demo
A demo repository showing how to use conda-subchannel and its Github Action
1
0
0
Updated 8 months ago