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## 🚀 Feature
Area Under ROC with log transformed FPR.
### Motivation
LogAUC is similar to AUROC and is a popular and effective metric to evaluate classification models on very imbalanced data…
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Please see below for details of today's Zoom meeting discussing updates around the SARS-CoV-2 nsp13 helicase fragment-based drug discovery project for site 3.
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- pbmc_new (not sure it is here right now)
- [1k1k](https://pubmed.ncbi.nlm.nih.gov/35389779/)
- IBD: talk to Can
- Sciplex: @justjhong
- Drug discovery: @adamgayoso
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[Kumari, Rashmi, Rajendra Kumar, Open Source Drug Discovery Consortium, and Andrew Lynn. “G_mmpbsa —A GROMACS Tool for High-Throughput MM-PBSA Calculations.” *Journal of Chemical Information and Model…
cramg updated
3 years ago
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Hello everyone. My name is [Hung](https://sydney.edu.au/science/people/hung.duong.394.php) and I'm a PhD student at the University of Sydney. My current research interests are in the drug discovery fo…
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## About
This project is looking at the Twitter networks that "talk about tuberculosis" and specifically those which discuss anti-tuberculosis drug discovery. We hope to examine the place of the […
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```
** parsing config file 'BH_test_config.yaml'
Traceback (most recent call last):
File "/exports/applications/apps/SL7/python/2.7.10/lib/python2.7/runpy.py", line 162, in _run_module_as_main
…
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Eventually, we may want to integrate an interactive plotting framework that allows us to see 2D molecule structures and their info as we hover over them. Some ideas:
* [practical cheminformatics exam…
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Many thanks for your open-source code of Vina-GPU, it's excellent work for drug design and discovery. I am not familiar with c/c++. Could you help me compile it on ubuntu?
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**MYOS432** analysed by NMR and LCMS on March 2024 when students and teachers visited UCL School of Pharmacy.
![MYOS432](https://github.com/OpenSourceMycetoma/Series-2-Aminothiazoles/assets/146206920…