NIPY
RDKit
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NIPY | RDKit | |
---|---|---|
- | 3 | |
731 | 2,413 | |
1.5% | 2.4% | |
8.9 | 9.5 | |
9 days ago | 4 days ago | |
Python | HTML | |
GNU General Public License v3.0 or later | BSD 3-clause "New" or "Revised" License |
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.
NIPY
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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)
Bubbles - [NOT MAINTAINED] Bubbles – Python ETL framework
NetworkX - Network Analysis in Python
Dask - Parallel computing with task scheduling
orange - 🍊 :bar_chart: :bulb: Orange: Interactive data analysis
NumPy - The fundamental package for scientific computing with Python.
Numba - NumPy aware dynamic Python compiler using LLVM
SymPy - A computer algebra system written in pure Python
SciPy - SciPy library main repository