AAriam
Studying M.Sc. Computational Sciences and M.Sc. Chemistry, and working as teaching assistant in theoretical chemistry at FUB.
Freie Universität Berlin (FUB)Berlin
Pinned Repositories
.github
Laminas Organization Templates
aariam
AlDS
Algorithms and data structures implemented in Python
ArminAriam.github.io
array_storage_benchmark
Compare some methods of array storage in Python (numpy)
Chessy
A chess engine in Python, using different AI methods.
duq
DUQ is a python package for working with physical Dimensions, Units, and Quantities.
mdforce
Implementation of different force-fields for molecular dynamics simulations
mdsim
Python package for molecular dynamics simulations
numintegrator
A python package providing numerical integrators for solving differential equations
AAriam's Repositories
AAriam/aariam
AAriam/ArminAriam.github.io
AAriam/biopython
Official git repository for Biopython (originally converted from CVS)
AAriam/biotite
A comprehensive library for computational molecular biology
AAriam/caviar
// PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition
AAriam/cookiecutter-python-project-repo
Cookiecutter template for Python project repositories
AAriam/hydride
Adding hydrogens to molecular models
AAriam/mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics simulations.
AAriam/mdtraj
An open library for the analysis of molecular dynamics trajectories
AAriam/mrcfile
A Python implementation of the MRC2014 file format
AAriam/MyST-Parser
An extended commonmark compliant parser, with bridges to docutils/sphinx
AAriam/ngl
WebGL protein viewer
AAriam/nglview
Jupyter widget to interactively view molecular structures and trajectories
AAriam/openbabel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
AAriam/opencadd
A Python library for structural cheminformatics
AAriam/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
AAriam/pdb-tools_haddocking
A dependency-free cross-platform swiss army knife for PDB files.
AAriam/pdbfixer
PDBFixer fixes problems in PDB files
AAriam/pipreqs
pipreqs - Generate pip requirements.txt file based on imports of any project. Looking for maintainers to move this project forward.
AAriam/pmapper
3D pharmacophore signatures and fingerprints
AAriam/pydata-sphinx-theme
A clean, three-column Sphinx theme with Bootstrap for the PyData community
AAriam/PyPackIT-Test1
A Placeholder Project Title
AAriam/pypackit_test2
AAriam/pytraj
Python interface of cpptraj
AAriam/rdkit
The official sources for the RDKit library
AAriam/scipy
SciPy library main repository
AAriam/sphinx-autodoc2
A Sphinx extension that automatically generates API documentation for your Python packages.
AAriam/sphinx-last-updated-by-git
:watch: Get the "last updated" time for each Sphinx page from Git
AAriam/teachopencadd
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
AAriam/Zundler
Bundle assets of distributed HTML docs into one self-contained HTML file