344 Open source projects that are alternatives of or similar to rdkit-pypi

An integrated negative design python library for desirable HTS/VS database design

✨ Browse trending GitHub projects from your command line

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.

Python Qt Window class for compatibility between VFX programs

Python for chemoinformatics

cp-tool is an auto generator for solved problems at different online judges.

A powerful, colorful, beautiful command-line-interface for pypi.org

Python wrapper for tracking information about International Space Station via http://open-notify.org

The official PyTorch implementation of "Pathfinder Discovery Networks for Neural Message Passing" (WebConf '21)

Python library for the Pimoroni Drum HAT Raspberry Pi Add-on board.

Pandoc filter for adding LaTeX environement on specific div

A lightweight way to push messages to Android devices (pip library package).

Crawl sites for RSS, Atom, and JSON feeds.

Export Amazon DynamoDb to CSV or JSON

pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/

Parse/Read yaml or json files directly in your shell (sh, bash, ksh, ...)

A graph-based deep learning framework for life science

Generate setup.py (setuptools) from pyproject.toml (poetry)

Library for working with TSPLIB files.

Tchamba.random, is a real random data genarator (letters, jokes, names...)

Python library to control an ST7789 240x240 1.3" TFT LCD display.

A blazingly fast online judge/ autograder ⚖️ built with Python and the Django framework to test cases against your solution. Check out the sponsor links and help fund DomeCode.

A lightweight python-only library for reading and writing SMILES strings

Graph-based machine learning for chemical property prediction

No description or website provided.

An SQLite extension for chemoinformatics applications.

MolEnc: a molecular encoder using rdkit and OCaml.

Pythonic particle-based (super-droplet) warm-rain/aqueous-chemistry cloud microphysics package with box, parcel & 1D/2D prescribed-flow examples in Python, Julia and Matlab

Python client for UpCloud's API

Asynchronous Library made using Python and aiohttp to get proxies from multiple services!

A SOCKS proxy server implemented with the powerful python cooperative concurrency framework asyncio.

Multivariate data modelling with Copulas in Python

YouTube download client with focus on simplicity

Interface for easier topic modelling.

a token based matrix registration api

这个脚本主要提供对pypi供应链的源头进行安全扫描研究，扫描并发现未知的恶意包情况。

A showcase for Sphinx documentation themes

Graph-based molecule modeling toolkit for cheminformatics

command-line script to download headspace packs, singles, everyday meditation and other sessions. You could also download all packs at once

Validator for SQLAlchemy Models

A library to interface molecules and machine learning.

Web Interface for ChEMBL @ EMBL-EBI

Python project template/scaffold and best practices

Easy to use template for great PyPi packages

SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)

🐍 A simple Python (2 or 3) script to generate a PNG word-cloud ☁️ image from a bunch of 📂 text files 🎉. Based on word_cloud by @amueller.

Query network abuse contacts for a given ip address on abuse-contacts.abusix.zone

Streamlining SLAM-seq analysis with ultra-high sensitivity

A Chemical Knowledge Graph of What is Common in the World.

A command line tool that creates bibtex entries for IETF RFCs and Internet Drafts.

Easy home automation with MQTT and/or openHAB

Ideas for chemical similarity searches in MongoDB.

A simple Python library for searching on DuckDuckGo.

🐍 Twitter Accounts Activity API Client Library for Python

洛阳理工学院 "健康状况管控平台" , 非官方Python封装库兼CLI工具与拓展实现

A Cayenne Low Power Payload (CayenneLPP) decoder and encoder for Python

Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).

Generic token generator and validator service like auth

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