Open Issues Need Help
View All on GitHub Update (most) tests to use Sage 2.3.0 about 2 months ago
good first issue
openforcefield/openff-interchange openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data.
Open project →
95
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
#amber#forcefield#gromacs#interoperability#lammps#molecular-simulation#openmm
Update docs to use Sage 2.3.0 about 2 months ago
good first issue
openforcefield/openff-interchange openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data.
Open project →
95
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
#amber#forcefield#gromacs#interoperability#lammps#molecular-simulation#openmm
Run code snippets in CI 2 months ago
documentation good first issue github_actions
openforcefield/openff-interchange openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data.
Open project →
95
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
#amber#forcefield#gromacs#interoperability#lammps#molecular-simulation#openmm
Support 4-site water models in Amber export 5 months ago
help wanted virtual sites amber
openforcefield/openff-interchange openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data.
Open project →
95
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
#amber#forcefield#gromacs#interoperability#lammps#molecular-simulation#openmm
Remove (this) packmol wrapper 9 months ago
good first issue system preparation
openforcefield/openff-interchange openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data.
Open project →
95
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
#amber#forcefield#gromacs#interoperability#lammps#molecular-simulation#openmm
Deprecate (this) Packmol wrapper 9 months ago
good first issue system preparation
openforcefield/openff-interchange openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data.
Open project →
95
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
#amber#forcefield#gromacs#interoperability#lammps#molecular-simulation#openmm
Update examples to use `openff-packmol` 9 months ago
good first issue system preparation
openforcefield/openff-interchange openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data.
Open project →
95
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
#amber#forcefield#gromacs#interoperability#lammps#molecular-simulation#openmm
Bump dependencies in docs environment 12 months ago
good first issue dependencies
openforcefield/openff-interchange openforcefield/openff-interchange A project (and object) for storing, manipulating, and converting molecular mechanics data.
Open project →
95
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Python
#amber#forcefield#gromacs#interoperability#lammps#molecular-simulation#openmm