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### Name
Gregory Wolfe
### Email
gw2338@nyu.edu
### Dataset name
Defect GNN
### Authors
Md Habibur Rahman, Prince Gollapalli, Panayotis Manganaris, Satyesh Kumar Yadav, Ghanshyam Pilania, Brian…
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We currently advise plugin developers to store in the DB what they want to query for, and the rest in the file repository. I think this is sound advice.
While analyzing the size of a production DB,…
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https://www.benevolent.com/guacamol
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## **Protocol Following:**
https://www.nature.com/articles/s41596-021-00598-y
## **Sample List:**
https://docs.google.com/spreadsheets/d/1LPFFPpNr6e6BsTX1GKkTgr84WCbT3ZSG47DjbhU2kxI/edit?gid=0#…
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- Summary: Segmentation of cervical cells as part of the Pap-smear analysis automation process: this work was awarded 1st place in ISBI'2014 Cervical Cell Recognition Challenge.
- Static: http://vis.…
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Here, the database of Benzoxazoles is updated.
[25082024 series5 benzoxazoles database.xlsx](https://github.com/user-attachments/files/16975496/25082024.series5.benzoxazoles.database.xlsx)
@Andre…
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would be nice to link to some papers/further resources
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Hello Wenhao,
I wanted tried your code. It works well if samespeconly=True is set just like you have in your example.
index=SS.ScreenSurfaces(natomsinsphere=20,keep=1,samespeconly=True,ignore=…
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# Grant Application
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## [GR] A2F Fundraising Consultancy and Services: Growth Champs
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## Details on Grant Work
Growth Champs is a year-long, subscription-based collaboration model that in…