#rdkit — Public Fediverse posts

I used chembl-downloader to create some nice charts on how the number of compounds, assays, activities, and other entities in ChEMBL have grown over time

📖 https://cthoyt.com/2025/08/26/chembl-history.html

#chembl #chemistry #chemometrics #chemoinformatics #cheminformatics #rdkit #cdk #proteochemometrics

I used chembl-downloader to create some nice charts on how the number of compounds, assays, activities, and other entities in ChEMBL have grown over time

📖 https://cthoyt.com/2025/08/26/chembl-history.html

#chembl #chemistry #chemometrics #chemoinformatics #cheminformatics #rdkit #cdk #proteochemometrics

I used chembl-downloader to create some nice charts on how the number of compounds, assays, activities, and other entities in ChEMBL have grown over time

📖 https://cthoyt.com/2025/08/26/chembl-history.html

#chembl #chemistry #chemometrics #chemoinformatics #cheminformatics #rdkit #cdk #proteochemometrics

I used chembl-downloader to create some nice charts on how the number of compounds, assays, activities, and other entities in ChEMBL have grown over time

📖 https://cthoyt.com/2025/08/26/chembl-history.html

#chembl #chemistry #chemometrics #chemoinformatics #cheminformatics #rdkit #cdk #proteochemometrics

Dear #python community.

Is someone from #Madrid ( #spain ) here who is looking for a new #job opportunity in a global operating company (no agency or similar). I'm currently searching for a #python #fullstack developer who is familiar with #django. Ideally you should also have experience in development with chemistry software like #rdkit, #sbml (not a must). Job posting will be issued soon.
If you know someone please share

Ooh and you will have to work closely with me 😜

#jobs #FediHire

📝 "Decision tree"

👤 Jennifer HY Lin (@jhylin)

🔗 https://jhylin.github.io/Data_in_life_blog/posts/16_ML2-1_Decision_tree/2_data_prep_tran.html

#pyladies #python #machinelearningprojects #treemodels #datapreprocessing #chembldatabase #pandas #rdkit #datamol

📝 "Working with scaffolds in small molecules"

👤 Jennifer HY Lin (@jhylin)

🔗 https://jhylin.github.io/Data_in_life_blog/posts/14_Scaffolds_in_small_molecules/chembl_anti-inf_data_prep_current.html

#pyladies #python #rdkit #datamol #pandas #polars #cheminformatics