rdkit

Crates.iordkit
lib.rsrdkit
version0.4.7
sourcesrc
created_at2022-05-02 00:43:08.913202
updated_at2024-03-27 22:09:28.949713
descriptionHigh level RDKit functionality for rust
homepage
repository
max_upload_size
id578797
size82,325
Javier Pineda (JJ-Pineda)

documentation

README

RDKit

A high-level library for performing common RDKit tasks such as SMILES parsing, molecule normalization, etc. Uses the C++ API via bindings from rdkit-sys.

Prerequisites

On a Mac:

brew install rdkit

On Linux you will need a custom build of rdkit with static libraries. We are working to provide suitable debian packages. This is holding up our CI.

Release Both rdkit and rdkit-sys

The rdkit-sys crate is a member of the rdkit workspace. All crates in the workspace should move in lockstep versions for simplicity's sake, making it easy to tell which crates are compatible.

Managing multiple crates in a single repository:

cargo workspace version patch
Commit count: 0

cargo fmt