Diffusion MOLEKUEHL (master) History

R11301/datafilter.npz
master500a60d21a7798753529233…

Nov 30 2021

Switched to ideal databases. Removed duplicate molecules until objective…
2ae2563a46c3
·matt on Nov 30 2021, 01:36.

Nov 11 2021

Modifed preprocessing to remove hydrogens; various changes on onepass (i forgot…
cad06c9aec83
·matt on Nov 11 2021, 16:28.