dgasmith

opt_einsum

⚡️Optimizing einsum functions in NumPy, Tensorflow, Dask, and more with contraction order optimization.

gau2grid

Fast computation of a gaussian and its derivative on a grid.

molpy

Description.

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

server_setup

Configuration scripts for my personal servers, feel free to browse.

ARKBreeder

A database and webserver for ARK breeding.

awesome-pydantic

A curated list of awesome things related to Pydantic! 🌪️

black-feedstock

A conda-smithy repository for black.

chalice-feedstock

A conda-smithy repository for chalice.

cpython

The Python programming language

digitalocean-factorio

dotfiles

mdanalysis-feedstock

A conda-smithy repository for mdanalysis.

nglview

Jupyter widget to interactively view molecular structures and trajectories

numpy

Numpy main repository

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

optking

pyOptking: A Python version of the PSI4 geometry optimization program by R.A. King

periodic-table

pint-feedstock

A conda-smithy repository for pint.

pydantic

Data validation using Python type hinting

pytest-httpx-feedstock

A conda-smithy repository for pytest-httpx.

python-louvain-feedstock

A conda-smithy repository for python-louvain.

QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

QCEngine

A wrapper for Quantum Chemistry engines that adheres to the MolSSI QCSchema.

qcengine-feedstock

A conda-smithy repository for qcengine.

QCFractal

A distributed compute and database platform for quantum chemistry.

qcfractal-feedstock

A conda-smithy repository for qcfractal.

slice-queen-dash

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

starlette-feedstock

A conda-smithy repository for starlette.