rdkit-sys
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rdkit-rs
Rust crate for linking against the RDKit C++ API
This repo has been fantastic for me to use within my Rust projects, thanks for all the effort put into this. Have some questions regarding contributing: - What are the...
Adding the ability to convert to/from InChI strings, and convert InChI to InChIKey. As some RDKit installations do not include InChI, this functionality is implemented behind a feature.
The Boost library returns explicit bitvects as vectors of u64 (so whole CPU words). but libraries like tantivy expect vectors of u8. we should add a helper function for converting...
Dear, Thanks for sharing uself chemoinformaitcs package of Rust! I would like to ask you if I could build the code with rdkit which is installed from conda. By using...
