Pinned Repositories
2015-08-24-stanford
gau2grid
Fast computation of a gaussian and its derivative on a grid.
opt_einsum
⚡️Optimizing einsum functions in NumPy, Tensorflow, Dask, and more with contraction order optimization.
personal-website
reporec
Records GitHub and Conda statistics for funding agencies and general metrics.
SICM2-Software-Summer-School-2014
Git Repo for the SICM2 Summer School 2014
cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
QCFractal
A distributed compute and database platform for quantum chemistry.
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
psi4numpy
Combining Psi4 and Numpy for education and development.
dgasmith's Repositories
dgasmith/opt_einsum
⚡️Optimizing einsum functions in NumPy, Tensorflow, Dask, and more with contraction order optimization.
dgasmith/gau2grid
Fast computation of a gaussian and its derivative on a grid.
dgasmith/molpy
Description.
dgasmith/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
dgasmith/server_setup
Configuration scripts for my personal servers, feel free to browse.
dgasmith/ARKBreeder
A database and webserver for ARK breeding.
dgasmith/awesome-pydantic
A curated list of awesome things related to Pydantic! 🌪️
dgasmith/black-feedstock
A conda-smithy repository for black.
dgasmith/chalice-feedstock
A conda-smithy repository for chalice.
dgasmith/cpython
The Python programming language
dgasmith/digitalocean-factorio
dgasmith/dotfiles
dgasmith/mdanalysis-feedstock
A conda-smithy repository for mdanalysis.
dgasmith/nglview
Jupyter widget to interactively view molecular structures and trajectories
dgasmith/numpy
Numpy main repository
dgasmith/openforcefield
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
dgasmith/optking
pyOptking: A Python version of the PSI4 geometry optimization program by R.A. King
dgasmith/periodic-table
dgasmith/pint-feedstock
A conda-smithy repository for pint.
dgasmith/pydantic
Data validation using Python type hinting
dgasmith/pytest-httpx-feedstock
A conda-smithy repository for pytest-httpx.
dgasmith/python-louvain-feedstock
A conda-smithy repository for python-louvain.
dgasmith/QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
dgasmith/QCEngine
A wrapper for Quantum Chemistry engines that adheres to the MolSSI QCSchema.
dgasmith/qcengine-feedstock
A conda-smithy repository for qcengine.
dgasmith/QCFractal
A distributed compute and database platform for quantum chemistry.
dgasmith/qcfractal-feedstock
A conda-smithy repository for qcfractal.
dgasmith/slice-queen-dash
dgasmith/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
dgasmith/starlette-feedstock
A conda-smithy repository for starlette.