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### Team Name:
The Quantocks
### Project Description:
The aim of this project is to implement the algorithm described in [this](https://arxiv.org/pdf/1812.10495.pdf) paper. This paper prov…
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Many here are probably aware of [LiveCOMS](https://www.livecomsjournal.org), but if not (from [https://www.livecomsjournal.org/about](https://www.livecomsjournal.org/about)):
>The Living Journal of C…
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Hi, the example about the QM9 database is very illustrative for me to perform regression of molecular properties on my own dataset.
¿It would be possible to implement the computation of the deriva…
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**Submitting author:** @samuelmurail (Samuel Murail)
**Repository:** https://github.com/samuelmurail/af2_analysis
**Branch with paper.md** (empty if default branch):
**Version:** v0.0.2
**Editor:** @…
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Defect Description:
The Simulation page of "Demonstration of pH Effect on Fluorescence Excitation and Emission Spectra of a Fluorophore" experiment of this lab, improper alignment is observed for the…
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Defect Description:
The Simulation page of "Fluorescence Quenching and Stern-Volmer Plot-Estimation of the Quenching Constant from Stern-Volmer Plot " experiment of this lab, improper alignment is ob…
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Defect Description:
The Simulation pages of " Click here to go to Excimer Formation lab" and " Click here to go to Exciplex Formation lab " experiments of this lab, improper alignment is observed for…
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Defect Description:
The Simulation page of "Familiarization with the fluorescence Instrumentation" experiment of this lab, improper alignment is observed for the simulation screen. In small screen th…
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(gbsa) dell@dell-OptiPlex-Tower-Plus-7010:~/Videos/unigbsa_ZaHSD$ unigbsa-pipeline -i com_rep.pdb -l NADP.mol2 -c default2.ini -o OUTFILE -nt 30 --decomp --verbose
10/05/2024 17:31:35 PM - INFO - Bu…
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"Docking" used to be a Topic (EDAM 1.12) but was deprecated, and merged into the notion of [Molecular modeling](http://edamontology.org/topic_2275). Yet it's suggested as a topic in https://github.co…