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RDKit Alternatives
Similar projects and alternatives to RDKit
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SaaSHub
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Milvus
Milvus is a high-performance, cloud-native vector database built for scalable vector ANN search
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FLiPStackWeekly
FLaNK AI Weekly covering Apache NiFi, Apache Flink, Apache Kafka, Apache Spark, Apache Iceberg, Apache Ozone, Apache Pulsar, and more...
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spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
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bootcamp
Dealing with all unstructured data, such as reverse image search, audio search, molecular search, video analysis, question and answer systems, NLP, etc. (by milvus-io)
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generative-ai-for-beginners
21 Lessons, Get Started Building with Generative AI 🔗 https://microsoft.github.io/generative-ai-for-beginners/
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imodels
Interpretable ML package 🔍 for concise, transparent, and accurate predictive modeling (sklearn-compatible).
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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
NOTE:
The number of mentions on this list indicates mentions on common posts plus user suggested alternatives.
Hence, a higher number means a better RDKit alternative or higher similarity.
RDKit discussion
RDKit reviews and mentions
Posts with mentions or reviews of RDKit.
We have used some of these posts to build our list of alternatives
and similar projects. The last one was on 2024-05-20.
- RDKit: Open-Source Toolkit for Cheminformatics and Machine Learning
- FLaNK-AIM: 20 May 2024 Weekly
- 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...
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A note from our sponsor - SaaSHub
www.saashub.com | 13 Jan 2025
Stats
Basic RDKit repo stats
5
2,739
9.6
2 days ago
rdkit/rdkit is an open source project licensed under BSD 3-clause "New" or "Revised" License which is an OSI approved license.
The primary programming language of RDKit is HTML.
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