Diffusion MOLEKUEHL (master) History

R11301/GetCMAmons.ipynb
masterb3236b2c31fff6883d42964…

Dec 15 2021

add vector data for target and amons databases
bdb5302eeb90
·puckvg on Dec 15 2021, 11:57.

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.