dgasmith Goto Github PK
Name: Daniel Smith
Type: User
Company: Flagship Pioneering
Bio: Twitter: @dga_smith
Location: Boston, MA
Daniel Smith's Projects
2015-08-24-stanford
2016-08-04-ucsf-python
2017-06-20-spelman
3dmol.js
WebGL accelerated JavaScript molecular graphics library
arkbreeder
A database and webserver for ARK breeding.
awesome-pydantic
A curated list of awesome things related to Pydantic! 🌪️
awesome-python-chemistry
A curated list of Python packages related to chemistry
black-feedstock
A conda-smithy repository for black.
cdsg_soc_2016
Welcome to the CDS Group's Summer of Code 2015!
chalice-feedstock
A conda-smithy repository for chalice.
ci_testing
clusters_ultimate
DO NOT CLONE. Currently under development. This code will be able to calculate the energy of a set of systems composed by molecules, each molecule composed by monomers.
cms-python-devops
Python Module Development
cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
cpython
The Python programming language
dask-jobqueue
Deploy Dask on job schedulers like PBS, SLURM, and SGE
digitalocean-factorio
dotfiles
eex
eex_scratch
A scratch repo for EEX ideas. Will be deleted.
fragmenter
Fragment molecules for quantum mechanics torsion scans
friendly-computing-machine
gau2grid
Fast computation of a gaussian and its derivative on a grid.
geometric
Geometry optimization code that includes the TRIC coordinate system
libxc
A GitHub fork of the libxc repository on GitLab
mdanalysis-feedstock
A conda-smithy repository for mdanalysis.
molpy
Description.
molssiexample
A short MolSSI Example Cookiecutter
nglview
Jupyter widget to interactively view molecular structures and trajectories
numpy
Numpy main repository
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