-
So @qxsml @ucnvwqt is it correct that we don't have any aggregation data for the compounds we're studying? I'd thought that that was included in the spreadsheet, but is it not?
In that case we can …
-
Hi,
We are currently trying to use activity data for Fe-C. Lobo1976 measured the activity of C in alpha-iron relative to Graphite as the standard state, but get erroneous results. (Lobo, Joseph A.,…
-
**Date**: June 11th 2024
**Time**: 2pm UK time [other timezones](https://www.timeanddate.com/worldclock/meetingdetails.html?year=2024&month=6&day=11&hour=13&min=0&sec=0&p1=43&p2=136&p3=37&p4=771&p5=2…
-
https://github.com/sherwin97/ML-Project----Predicting-solubility-/blob/5f50a0998def4d6dfa5ad4b0201555ede0841335/linear_model.py#L10
i would call this script "train.py" since you're training the mod…
-
## *Repository Creation Request*
Use this to get your experiment repository created or updated on GitHub under Virtual Labs organization.
1. #### Coordinating Institute: IIT Bombay
2. #### Appr…
-
![image](https://user-images.githubusercontent.com/83763402/139528159-1d66704c-7a7e-451d-aac4-347f110f9f8e.png)
-
The following 3 compounds in the green box will be sent this week to Sue Charman's lab at Monash University for evaluation of their metabolic and physical chemical properties, namely human/mouse liver…
-
Different from SATLIB, ACLib benchmark instances doesn't have a comment saying it's sat/unsat in the cnf file.
Notes: Circuit Fuzz benchmark has a `classify_100.txt` file, a dump of solver attempts…
-
A growing list of models that could be added to VESIcal:
- Papale (2006), via translation of FORTRAN code
- Duan (2014)
- Zhang et al. (2007)
- Moussallam et al (2015) for Foidites/Kimberlites (…
-
From old file in this repo: `error_formatting_bugs.txt`
```
(caiman) tom@atlas:~/src/chemutils/test$ ./test_pubchemprops_string_parsing.py
Line 7
"In water, 0.6 wt% (6000 mg/L) at 20 °C"
TEM…