Skip to content
View dgasmith's full-sized avatar
165 followers · 0 following

Achievements

Achievement: Pair Extraordinairex4Achievement: YOLOAchievement: Pull Sharkx4Achievement: QuickdrawAchievement: Starstruckx3Achievement: Mars 2020 ContributorAchievement: Arctic Code Vault Contributor
BetaSend feedback

Achievements

Achievement: Pair Extraordinairex4Achievement: YOLOAchievement: Pull Sharkx4Achievement: QuickdrawAchievement: Starstruckx3Achievement: Mars 2020 ContributorAchievement: Arctic Code Vault Contributor
BetaSend feedback

Organizations

@psi4 @openforcefield @PyQC
Block or Report

Block or report dgasmith

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Pinned

  1. psi4/psi4 psi4/psi4 Public

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

    C++ 921 429

  2. opt_einsum opt_einsum Public

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

    Python 802 64

  3. MolSSI/QCFractal MolSSI/QCFractal Public

    A distributed compute and database platform for quantum chemistry.

    Python 140 49

  4. psi4/psi4numpy psi4/psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 324 145

  5. MolSSI/cookiecutter-cms MolSSI/cookiecutter-cms Public

    Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 357 88

  6. gau2grid gau2grid Public

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

    Python 29 12