Ben Bucior

pip install can be slow

1

The installation step `pip install .` can run slowly depending on the project environment. The root cause is in pip (https://github.com/pypa/pip/issues/2195). Any source files under the parent directory (including the...

Generating 2D line drawings in the MOFid web interface is currently buggy due to a regression in the upstream Open Babel project. https://github.com/openbabel/openbabel/pull/1902 patched this bug and needs to be...

Certain [heterocyclic compounds ](https://en.wikipedia.org/wiki/Heterocyclic_compound) can yield unexpected SMILES in the upstream Open Babel library. For example, the code does not correctly assign bond orders to `L_13` in the ToBaCCo MOFs....