RDKit
blaze
| RDKit | blaze | |
|---|---|---|
| 4 | 1 | |
| 2,452 | 3,179 | |
| 2.8% | -0.1% | |
| 9.5 | 0.0 | |
| 7 days ago | 8 months ago | |
| HTML | Python | |
| BSD 3-clause "New" or "Revised" License | 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.
RDKit
- rdkit: RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
- Free Solvent Accessible Surface Area
-
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...
blaze
-
Blaze: Fast query execution engine for Apache Spark
Unfortunate name overlap with an under-loved PyData project: https://blaze.pydata.org
What are some alternatives?
Biopython - Official git repository for Biopython (originally converted from CVS)
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
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
bcolz - A columnar data container that can be compressed.
Open Mining - Business Intelligence (BI) in Python, OLAP
Bubbles - [NOT MAINTAINED] Bubbles – Python ETL framework