2024-03-21
PAMREIN's daily Open Notebook (COMMONS Lab)
Todo - Check Github
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Meetings
Daily report (What did I learn?)
- I did the first running using version of the program. It is released as new version on github: https://github.com/commons-research/dataset-extractor-lotus/releases/tag/v1.1.
Mamba is another conda. Just a little bit better... ^^ https://github.com/mamba-org/mamba https://mamba.readthedocs.io/en/latest/user_guide/micromamba.html
I have to dive into it...
SDF (Simple Data Format) : Simple Data Format is a file format used by numerical modelers. It was invented by George H. Fisher of the Space Sciences Lab at UC Berkeley in 2007.
The format's goal was to provide a way of reading and writing output data from numerical simulations that preserve full precision. Furthermore, the format is simple, easy to use, and supports files of several gigabytes.
for request commands like GET and POST we should always raise an error, if the status has some problems...
r.raise_for_status()
The GET and POST is for communication with a server. GET is for requesting data from a server and POST is for submitting data to a server. It exist more than just this twos, but they are mainly used. https://www.w3schools.com/tags/ref_httpmethods.asp
When I searched for pickaxe (subtool of mine) I always came back to mine https://pypi.org/project/minedatabase/. It includes pickAxe! --> Info https://mine-database.readthedocs.io/en/develop/pickaxe_run.html I tried to run the pickaxe_run.py (sample code), which couldn't be launched because of filterproblems...
Future perspective
Look up, how to predict SMILES....