Diffusion MOLEKUEHL (master) History

R11301/amons-vitd
masterd00e36abbefe31c4c6c312c…

Dec 20 2021

update database required change to aqml code
d882c03886a3
·puckvg on Dec 20 2021, 15:48.

Dec 14 2021

changed database sizes to 7/8/9 max heavy atom fragments respectively
5cc7e9b3d9f7
·puckvg on Dec 14 2021, 17:16.

Nov 29 2021

add optimal databases for each target
83ee1e954e70
·puckvg on Nov 29 2021, 11:12.