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Pull requests: stefanch/sGDML
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The option to specify the desired molecular descriptor
#11
opened May 30, 2020 by
sauceda
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updated May 30, 2020
update to concatenate multiple inputs
#14
opened Nov 25, 2020 by
sauceda
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updated Nov 25, 2020
analytical second order derivatives (Hessians)
#15
opened Jan 5, 2021 by
humeniuka
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updated Feb 7, 2021
Python object API and windows 10 support
#18
opened Feb 22, 2021 by
ozmendelsohn
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updated Oct 5, 2021
bug fix for "_bmark_cache.npz file stores at program path"
#19
opened Mar 2, 2022 by
diphosphane
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updated Mar 2, 2022
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