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Senior Research Software Engineer @openforcefield @omsf, formerly @shirtsgroup at UC Boulder and Cummings Group at Vanderbilt @mosdef-hub
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Open Molecular Software Foundation
- Iowa City, IA
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04:22
- 5h behind - mattthompson.dev
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openforcefield/openff-toolkit
openforcefield/openff-toolkit PublicThe Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
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openforcefield/openff-interchange
openforcefield/openff-interchange PublicA project (and object) for storing, manipulating, and converting molecular mechanics data.
2,466 contributions in the last year
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Activity overview
Contributed to
openforcefield/openff-interchange,
openforcefield/yammbs,
openforcefield/openff-toolkit
and 83 other
repositories
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Contribution activity
August 2025
Created 2 commits in 2 repositories
Created a pull request in openforcefield/openff-evaluator that received 5 comments
Fix filtering schema validators
Description Closes #687 Todos Notable points that this PR has either accomplished or will accomplish. Fix some validators in filtering Add a min…
+13
−7
lines changed
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5
comments
Opened 1 other pull request in 1 repository
openforcefield/openff-interchange
1
open
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Make
Interchange.topology
read-onlyThis contribution was made on Aug 5
Reviewed 10 pull requests in 8 repositories
mdtraj/mdtraj
2 pull requests
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Drop numpy1 from testing/support, not building freethreading wheels, build linux-arm64 wheels
This contribution was made on Aug 5
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[pre-commit.ci] pre-commit autoupdate
This contribution was made on Aug 4
openforcefield/yammbs
2 pull requests
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Torsion analysis
This contribution was made on Aug 5
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[pre-commit.ci] pre-commit autoupdate
This contribution was made on Aug 5
openforcefield/openff-evaluator
1 pull request
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Prototype hash function
This contribution was made on Aug 5
openforcefield/openff-nagl-models
1 pull request
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Broken navigation links
This contribution was made on Aug 5
openforcefield/openff-docs
1 pull request
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Fix dead link to defunct ligand expo
This contribution was made on Aug 5
openforcefield/openff-units
1 pull request
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[pre-commit.ci] pre-commit autoupdate
This contribution was made on Aug 4
openforcefield/openff-interchange
1 pull request
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[pre-commit.ci] pre-commit autoupdate
This contribution was made on Aug 4
openmm/openmmforcefields
1 pull request
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Fixes for issues and assorted cleanups to generators
This contribution was made on Aug 4
Created an issue in openforcefield/openff-evaluator that received 2 comments
Opened 2 other issues in 2 repositories
openmm/openmmforcefields
1
open
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Remove
DummySystemGenerator
This contribution was made on Aug 4
openforcefield/openff-evaluator
1
closed
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Validators of some filtering schemas broken
This contribution was made on Aug 4