Pinned Repositories
CalcUS
Quantum Chemistry Web Platform
ccinput
Computational Chemistry Input Generator
aug-cclib
Parsers and algorithms for computational chemistry logfiles
awesome-python-chemistry
A curated list of Python packages related to chemistry
cloud-tasks-emulator
Google cloud tasks emulator
dask
Parallel computing with task scheduling
distributed
A distributed task scheduler for Dask
GillesPy2
Modeling toolkit for biochemical simulation
milo
Quasiclassical direct dynamics program
mosdef_cassandra
MoSDeF compatible wrapper for Cassandra Monte Carlo code
RaphaelRobidas's Repositories
RaphaelRobidas/aug-cclib
Parsers and algorithms for computational chemistry logfiles
RaphaelRobidas/awesome-python-chemistry
A curated list of Python packages related to chemistry
RaphaelRobidas/cloud-tasks-emulator
Google cloud tasks emulator
RaphaelRobidas/dask
Parallel computing with task scheduling
RaphaelRobidas/distributed
A distributed task scheduler for Dask
RaphaelRobidas/GillesPy2
Modeling toolkit for biochemical simulation
RaphaelRobidas/milo
Quasiclassical direct dynamics program
RaphaelRobidas/mosdef_cassandra
MoSDeF compatible wrapper for Cassandra Monte Carlo code
RaphaelRobidas/nmrsim
A Python library for NMR simulation
RaphaelRobidas/obsidian-note-graph
RaphaelRobidas/pyDFTD3
Python version of Grimme's D3-dispersion correction for Gaussian input/output
RaphaelRobidas/pydjax
Easily Use MathJax with Django without any hassel
RaphaelRobidas/pyGSM
Thermal and photochemical reaction path optimization and discovery
RaphaelRobidas/pyquante2
Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
RaphaelRobidas/pysisyphus
Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
RaphaelRobidas/rdkit
The official sources for the RDKit library
RaphaelRobidas/sharc
The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.