How to install a package rdkit from Conda with pip?
Which is the best way to install rdkit? I tried to install by the command conda install -c conda-forge rdkit or conda install -c rdkit rdkit but it showed conflict in a new conda environment with …
rdkit: how to draw high resolution chemical structure
I am using jupyter lab to draw chemical structures. But the output image resolution is too low. How can I improve it? from rdkit import Chem from rdkit.Chem import Draw smiles = …
RDKit installation under Windows and Python3.7.4 - Stack Overflow
Jul 19, 2019 · RDKit could be a nice package if it wasn't so complicated to install. Here on SO, there are several questions having problems with the installation of RDKit. However, on …
rdkit: How to show molecular's atoms number/indexes
Nov 26, 2024 · Hello1 I was trying to use rdkit pack to finish the work of displaying the molecular's atom numbers/indexes in Jupyter Notebook ,"import IPython.core.interactiveshell" …
RDKit download | SourceForge.net
Apr 19, 2016 · Additionally, the RDKit distribution includes a PostgreSQL-based cartridge that allows molecules to be stored in relational database and retrieved via substructure and …
Handling SMILES with metal ions in RDKit - Stack Overflow
May 12, 2022 · I have the following function that takes a dictionary of SMILES strings and converts them to RDKit mol objects. def smiles_dict_to_mol_list(smiles_dict): …
how do I install a specific version of the rdkit library for Python2?
Aug 17, 2019 · The RDKit project home page gives other options for installing 1) from within an Anaconda conda virtual environment 2) from the source code (what you downloaded) for …
[Rdkit-announce] Save the date for the 2025 RDKit UGM
Oct 22, 2024 · Dear all, I'm happy to announce that we have set the dates and location for next year's UGM. The 2025 RDKit UGM will take place in Prague, Czechia from 10-12 September. …
How to add RDKit to project in PyCharm? - Stack Overflow
Aug 25, 2016 · So, I am trying to add RDKit to my project in PyCharm. I have found that if you are using interpreter /usr/bin/python2.7 PyCharm will try to install stuff using the pip.
How to save rdkit DrawMorganBit output as image? - Stack Overflow
Jul 14, 2022 · How to save rdkit DrawMorganBit output as image? Asked 3 years, 4 months ago Modified 3 years, 4 months ago Viewed 3k times