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Highlights

  • Arctic Code Vault Contributor
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Organizations

@mdtraj @conda-forge @openforcefield @mosdef-hub @FIRST-Center @mmoss-io
mattwthompson/README.md

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Pinned

  1. Collection of assorted doftfiles

    Shell

  2. in silico generation of carbide-derived carbons

    Python

  3. The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

    Jupyter Notebook 119 38

  4. A molecular system object from the Open Force Field Initiative

    Python 2 2

2,058 contributions in the last year

Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Mon Wed Fri

Contribution activity

November 2020

Created 1 repository

Created a pull request in conda-forge/cmiles-feedstock that received 13 comments

Split into cmiles and cmiles-base

Checklist Used a personal fork of the feedstock to propose changes Bumped the build number (if the version is unchanged) Reset the build numbe…

+330 −34 13 comments
Opened 32 other pull requests in 10 repositories
openforcefield/openff-system
2 open 10 merged
openforcefield/openforcefield
2 open 1 closed 2 merged
openforcefield/openff-cli
1 open 3 merged
openforcefield/cmiles
3 merged
shirtsgroup/InterMol
2 merged
openforcefield/status
2 merged
openforcefield/openforcefields
1 merged
openforcefield/openff-recharge
1 merged
openforcefield/openff-evaluator
1 merged
slochower/pAPRika
1 merged
Reviewed 5 pull requests in 3 repositories
openforcefield/openforcefield 3 pull requests
conda-forge/cmiles-feedstock 1 pull request
conda-forge/staged-recipes 1 pull request

Created an issue in openforcefield/openff-system that received 3 comments

Units: Prototype of typed array model

This prototype is mostly a repackaging of others' work in a few different places (thanks @dgasmith and several in samuelcolvin/pydantic#380. It ser…

3 comments

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