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Pull requests: stefanch/sGDML

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Pull requests list

Fixing units
#31 opened Mar 2, 2026 by horasim Loading…
bug fix for "_bmark_cache.npz file stores at program path"
#19 opened Mar 2, 2022 by diphosphane Loading…
Python object API and windows 10 support
#18 opened Feb 22, 2021 by ozmendelsohn Loading…
analytical second order derivatives (Hessians)
#15 opened Jan 5, 2021 by humeniuka Loading…
update to concatenate multiple inputs
#14 opened Nov 25, 2020 by sauceda Loading…
The option to specify the desired molecular descriptor
#11 opened May 30, 2020 by sauceda Loading…
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