Date
Participants
Xavier Lucas
Victoria Lim
Goals
Discussion topics
Time | Item | Presenter | Notes |
|---|---|---|---|
update on physical property data | SB and OM | ||
| Designing 2nd generation QM training set update |
| |
VL |
Note Taking
(1) Simon;
Add link for simon’s slides here
...
CIB – The gradient approach worked well when I did BCCs.
(2) JM and HJ
| View file | ||
|---|---|---|
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Slide 2
DLM – Clarify – DBSCAN clustering based on fingerprint similarity?
...
JM – Could have everything ready for submission by tomorrow.
Action items
- Hyesu Jang and Christopher Bayly (and anyone else who's interested) will schedule a time to talk about fingerprint selection.
- @victoria will present at friday’s ff-release call
- Jessica Maat (Deactivated) will submit geometry optimizations by the end of the month.
- Jeffrey Wagner will coordinate with MolSSI to see if we can get QCA jobs done by April 15
- Hyesu Jang will send Simon Boothroyd a draft of the valence refit in the first week of April