GeezerVison is showing github.com — Open Force Field Initiative
Pinned
Loading
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
Python
418
110
Force fields produced by the Open Force Field Initiative
Python
195
29
Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.
Python
86
16
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
97
32
A physical property evaluation toolkit from the Open Forcefield Consortium.
Python
61
22
An automated framework for generating optimized partial charges for molecules
Python
40
9
Repositories
Loading
Type
All
Public
Sources
Forks
Archived
Mirrors
Templates
Language
All
CSS
JavaScript
Jupyter Notebook
Python
Ruby
Sass
Shell
TeX
Sort
Showing 10 of 98 repositories
tyff
Public
Distributed simulation
openforcefield/tyff's past year of commit activity
Python
2
MIT
1
53
7
Updated Nov 12, 2026
openff-docs
Public
Documentation for the Open Force Field ecosystem
openforcefield/openff-docs's past year of commit activity
Jupyter Notebook
0
MIT
2
15
1
Updated Nov 12, 2026
openforcefield/proteinbenchmark's past year of commit activity
Python
11
MIT
4
0
2
Updated Nov 12, 2026
openff-pablo
Public
New implementation of `Topology.from_pdb`
openforcefield/openff-pablo's past year of commit activity
Python
12
MIT
2
36
8
Updated Nov 11, 2026
openforcefield/openff-nagl's past year of commit activity
Python
24
MIT
9
23
5
Updated Nov 10, 2026
smirnoff-plugins
Public
Plugins to enable using custom functional forms in SMIRNOFF based force fields
openforcefield/smirnoff-plugins's past year of commit activity
Python
11
MIT
8
3
2
Updated Nov 10, 2026
openff-interchange
Public
A project (and object) for storing, manipulating, and converting molecular mechanics data.
openforcefield/openff-interchange's past year of commit activity
yammbs
Public
Internal tool for benchmarking force fields
openforcefield/yammbs's past year of commit activity
Jupyter Notebook
8
MIT
3
28
7
Updated Nov 10, 2026
openforcefield/openff-packmol's past year of commit activity
Python
1
MIT
2
4
1
Updated Nov 9, 2026
openforcefield/yammbs-dataset-submission's past year of commit activity
Python
2
MIT
3
12
16
Updated Nov 9, 2026