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zincware
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IPSuite
Machine Learned Interatomic Potential Tools
https://ipsuite.readthedocs.io
Eclipse Public License 2.0
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expand docker container
#290
Open
PythonFZ
opened
5 months ago
PythonFZ
commented
5 months ago
currently missing:
[ ] packmol
[ ] cp2k
[ ] lammps
[ ] orca
[ ] xtb
currently missing: