ForceBalance (https://simtk.org/home/forcebalance) is a library that provides tools for automated optimization of force fields and empirical potentials.
The philosophy of this program is to present force field optimization in a unified and easily extensible framework. Since there are many different ways in theoretical chemistry to compute the potential energy of a collection of atoms, and similarly many types of reference data to fit these potentials to, we do our best to provide an infrastructure which allows a user or a contributor to fit any type of potential to any type of reference data.
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Release files for forcebalance 1.9.5
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
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| forcebalance-1.9.5.tar.gz | 21.7 MB | Without provenance | Details |
Release files / forcebalance-1.9.5.tar.gz
| Download URL | forcebalance-1.9.5.tar.gz |
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| Size | 21.7 MB |
| Tags | Source |
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twine/3.7.1 importlib_metadata/6.0.0 pkginfo/1.8.3 requests/2.28.2 requests-toolbelt/0.9.1 tqdm/4.64.1 CPython/3.9.16
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Security for forcebalance 1.9.5
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