RDKitMinimalLib.jl
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eloyfelix
RDKitMinimalLib wrapper for the Julia programming language
adds maccs fp that will be included in [2023.03.01](https://github.com/rdkit/rdkit/milestone/75?closed=1)
A big 🚀 to the Julia wrapper of RDKit! Will there be support of Windows? Could you tell, what is restricting your choice of OSes?
The [get_rdkit_fp](https://eloyfelix.github.io/RDKitMinimalLib.jl/dev/calculators/#RDKitMinimalLib.get_rdkit_fp) and [get_morgan_fp](https://eloyfelix.github.io/RDKitMinimalLib.jl/dev/calculators/#RDKitMinimalLib.get_morgan_fp) functions both return a bit string instead of a BitVector which I would expect from a fingerprint of that kind. which can be easily solved with...
Would be cool to have a `get_mcs()` or `find_mcs()` function to find the maximum common substructure of a set of molecules. The functionality already seems to be part of the...