dask-memusage
RDKit
dask-memusage | RDKit | |
---|---|---|
- | 3 | |
24 | 2,421 | |
- | 1.6% | |
0.0 | 9.5 | |
about 1 year ago | 7 days ago | |
Python | HTML | |
MIT License | BSD 3-clause "New" or "Revised" License |
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dask-memusage
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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)
Dask - Parallel computing with task scheduling
NetworkX - Network Analysis in Python
orange - 🍊 :bar_chart: :bulb: Orange: Interactive data analysis
SciPy - SciPy library main repository
Numba - NumPy aware dynamic Python compiler using LLVM
bccb - Incubator for useful bioinformatics code, primarily in Python and R
SymPy - A computer algebra system written in pure Python