aspuru-list September 2015

aspuru-list@lists.fas.harvard.edu

24 participants
65 discussions

[Aspuru-Guzik group list] Away on Friday

by Marlon Cummings

Dear Group: I'll be away tomorrow. Have a safe an enjoyable holiday weekend. Best, Marlon. --------- *Marlon G. CummingsLab Manager, Aspuru-Guzik GroupMallinckrodt M136Department of Chemistry and Chemical BiologyHarvard University12 Oxford StreetCambridge, MA 02138617-496-9964617-496-9411 (fax)http://aspuru.chem.harvard.edu/ <http://aspuru.chem.harvard.edu/>*

8 years, 7 months

[Aspuru-Guzik group list] Group Party! 3:30

by Joey Goodknight

Hey Everyone, Don't forget we'll have delicious mexican food and beer/cider/wine after group meeting to celebrate our move to new offices and Dr. Jonathan Q. Welch, PhD. We'll have the celebration at the theory couches area outside of Alan's old office. We also have some orange juice and craft root beer so no excuses: BE THERE! -Joey

8 years, 7 months

[Aspuru-Guzik group list] Reminder - Toast Jon Welch Today!

by Marlon Cummings

Champagne is in our refrigerator, glasses are in the cupboard (under the coffee machine). Can I ask for 3 Quantum guys to come by at 3:30PM to pick them up? Thanks!! ------------ *Marlon G. CummingsLab Manager, Aspuru-Guzik GroupMallinckrodt M136Department of Chemistry and Chemical BiologyHarvard University12 Oxford StreetCambridge, MA 02138617-496-9964617-496-9411 (fax)http://aspuru.chem.harvard.edu/ <http://aspuru.chem.harvard.edu/>*

8 years, 7 months

[Aspuru-Guzik group list] Group Meeting, Sept 3, 2:30 PM, Converse 102

by Ian Kivlichan

Hi all, Tomorrow Jennifer will give group meeting. See below for the title and abstract. Note that group meeting this week will be in Converse 102 rather than in the Div Room. Best, Ian ------------------------------------- Speaker: Jennifer Wei Title: A new type of molecular fingerprint using convolutional neural networks Abstract: I will discuss a new type of molecular fingerprint (Neural Fingerprints), developed by members of the Ryan Adams Group. Neural fingerprints contain floating indices instead of binary indices and uses a neural network as the basis of the fingerprint; the differentiability of the fingerprint indices allows for increased similarity between the representations of similar molecules. Additionally, when used to predict molecular properties such as solubility and toxicity, the indices of the fingerprints can be readily decomposed to visualize the fragments of the training set molecules most strongly correlated with the predicted property.

8 years, 7 months

[Aspuru-Guzik group list] Agave printer

by Edward Pyzer-Knapp

Hi all, The Agave printer is now working again! Thanks to Jeff at FAS IT :) Ed -- ************************************************************* Dr E.O. Pyzer-Knapp Harvard Clean Energy Project Department of Chemistry and Chemical Biology Harvard University Cambridge, MA 02138 visit us - http://cleanenergy.molecularspace.org ᐧ

8 years, 7 months

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aspuru-list September 2015