Toggle navigation
JUPYTER
FAQ
View on GitHub
Execute on Binder
fix-983
branch
0-10-x
add_atom_example
add-newline-offxml
add-normalizations
all-lily-fixes
delete-examples-env-yaml
enumerate-all-stereotomers
enumerate-all-tautomers
experimental-idivf-auto
fix-983
fix-990
fix-1633
fix-cookbook-ci
fix-from-pdb-and-smiles-atom-order
fix-offtk-1783
fix-qcsubmit-278
fix-setting-simple-molecule-conformers
fix-vsite-showcase-debug
from_smiles_with_mapping
lily/check-regression
lily/endian-master
main
mapped-smiles-hash
master
nagl-docs
numpy-2-rc1
openmm-optional
prevent-am1-rearrangement2
private-ish-tests
py312
tag
stable
0.16.0
0.15.2
0.15.1
0.15.0
0.14.5
0.14.4
0.14.3
0.14.2
0.14.1
0.14.0
0.13.2
0.13.1
0.13.0
0.12.1
0.12.0
0.11.4
0.11.3
0.11.2
0.11.1
0.11.0
0.11.0rc3
0.11.0rc2
0.11.0rc1
0.10.7
0.10.6
0.10.5
0.10.4
0.10.3
0.10.2
openff-toolkit
examples
using_smirnoff_in_amber_or_gromacs
Name
..
convert_to_amber_gromacs.ipynb
1_cyclohexane_1_ethanol.pdb
README.md