Kotori
RDKit
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| Kotori | RDKit | |
|---|---|---|
| - | 3 | |
| 107 | 2,413 | |
| 1.9% | 2.4% | |
| 6.8 | 9.5 | |
| 24 days ago | 5 days ago | |
| Python | HTML | |
| Server Side Public License, v 1 | BSD 3-clause "New" or "Revised" License |
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Kotori
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Tracking mentions began in Dec 2020.
RDKit
- rdkit: RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
- Free Solvent Accessible Surface Area
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What to do about GPU packages on PyPI?
I agree. So many times I have had to reinstall rdkit using homebrew and link it again and again. Although, you can now install rdkit via pip: pip install rdkit-pypi
GitHub Issue: https://github.com/rdkit/rdkit/issues/1812#issuecomment-8088...
What are some alternatives?
Pandas - Flexible and powerful data analysis / manipulation library for Python, providing labeled data structures similar to R data.frame objects, statistical functions, and much more
Biopython - Official git repository for Biopython (originally converted from CVS)
SymPy - A computer algebra system written in pure Python
NetworkX - Network Analysis in Python
MerkavaDB - A fast ordered NoSQL database.
orange - 🍊 :bar_chart: :bulb: Orange: Interactive data analysis
Dask - Parallel computing with task scheduling
Numba - NumPy aware dynamic Python compiler using LLVM
NumPy - The fundamental package for scientific computing with Python.