https://github.com/commons-research/rdkit-rust-sys
Small example repo to test an other approach with cxx.rs
Science Score: 13.0%
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○Scientific vocabulary similarity
Low similarity (6.2%) to scientific vocabulary
Repository
Small example repo to test an other approach with cxx.rs
Basic Info
- Host: GitHub
- Owner: commons-research
- Language: Rust
- Default Branch: main
- Size: 28.3 KB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 0
Metadata Files
README.md
RDKit-Rust-ffi
This is a simple example of how to use RDKit from Rust using the cxx.rs.
A first implementation of RDKit in Rust was made here but it was taking to much time to rewrite every function in the wrapper C++ files. It turns out that we can call directly the C++ functions from RDKit and only change the ones that are needed.
This is an example with the Atom class. Almost all the functions are implemented and this was made in a few hours of work.
Installation
First you need to install Boost-python:
bash
brew install rdkit
Then you can run the tests with:
bash
cargo test
Owner
- Name: commons-research
- Login: commons-research
- Kind: organization
- Repositories: 3
- Profile: https://github.com/commons-research
GitHub Events
Total
- Push event: 4
Last Year
- Push event: 4
Issues and Pull Requests
Last synced: over 1 year ago
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- Total pull requests: 0
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- Total issue authors: 0
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- Average comments per issue: 0
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 0
- Pull requests: 0
- Average time to close issues: N/A
- Average time to close pull requests: N/A
- Issue authors: 0
- Pull request authors: 0
- Average comments per issue: 0
- Average comments per pull request: 0
- Merged pull requests: 0
- Bot issues: 0
- Bot pull requests: 0