#openbabel — Public Fediverse posts

#OpenBabel is dead, long live #RDKit!

https://github.com/RMeli/spyrmsd/issues/149

On a more serius note, it would be cool to have a cheminformatics library that actually works. Don't get me wrong, RDKit is very cool - but you can feel all the underlying problems it has when using it.

#Cheminformatics

Good work is easy and fun to review - I just sent a golden recommendation to accept (with minor changes 😜) for "Cheminformatics Python Microservice (CPM): unifying access to open cheminformatics toolkits"

preprint: https://doi.org/10.26434/chemrxiv-2023-hk8zn)

code: https://github.com/Steinbeck-Lab/cheminformatics-python-microservice

service: https://api.naturalproducts.net/latest/docs

#cheminformatics #rdkit #openbabel #indigo #cdk #microservice #smiles #inchi #ocsr

@Kohulan @steinbeck good work, all

Good work is easy and fun to review - I just sent a golden recommendation to accept (with minor changes 😜) for "Cheminformatics Python Microservice (CPM): unifying access to open cheminformatics toolkits"

preprint: https://doi.org/10.26434/chemrxiv-2023-hk8zn)

code: https://github.com/Steinbeck-Lab/cheminformatics-python-microservice

service: https://api.naturalproducts.net/latest/docs

#cheminformatics #rdkit #openbabel #indigo #cdk #microservice #smiles #inchi #ocsr

@Kohulan @steinbeck good work, all

Good work is easy and fun to review - I just sent a golden recommendation to accept (with minor changes 😜) for "Cheminformatics Python Microservice (CPM): unifying access to open cheminformatics toolkits"

preprint: https://doi.org/10.26434/chemrxiv-2023-hk8zn)

code: https://github.com/Steinbeck-Lab/cheminformatics-python-microservice

service: https://api.naturalproducts.net/latest/docs

#cheminformatics #rdkit #openbabel #indigo #cdk #microservice #smiles #inchi #ocsr

@Kohulan @steinbeck good work, all

Good work is easy and fun to review - I just sent a golden recommendation to accept (with minor changes 😜) for "Cheminformatics Python Microservice (CPM): unifying access to open cheminformatics toolkits"

preprint: https://doi.org/10.26434/chemrxiv-2023-hk8zn)

code: https://github.com/Steinbeck-Lab/cheminformatics-python-microservice

service: https://api.naturalproducts.net/latest/docs

#cheminformatics #rdkit #openbabel #indigo #cdk #microservice #smiles #inchi #ocsr

@Kohulan @steinbeck good work, all

Good work is easy and fun to review - I just sent a golden recommendation to accept (with minor changes 😜) for "Cheminformatics Python Microservice (CPM): unifying access to open cheminformatics toolkits"

preprint: https://doi.org/10.26434/chemrxiv-2023-hk8zn)

code: https://github.com/Steinbeck-Lab/cheminformatics-python-microservice

service: https://api.naturalproducts.net/latest/docs

#cheminformatics #rdkit #openbabel #indigo #cdk #microservice #smiles #inchi #ocsr

@Kohulan @steinbeck good work, all