kzfm

kzfm's Stars

• aymericdamien/TensorFlow-Examples

  TensorFlow Tutorial and Examples for Beginners (support TF v1 & v2)

  Language:Jupyter Notebook43.4k2k23314.9k

• kivy/kivy

  Open source UI framework written in Python, running on Windows, Linux, macOS, Android and iOS

  Language:Python17.6k6065.1k3.1k

• rdkit/rdkit

  The official sources for the RDKit library

  Language:HTML2.6k823.3k870

• openmm/openmm

  OpenMM is a toolkit for molecular simulation using high performance GPU code.

  Language:C++1.5k822.7k518

• PythonJS/PythonJS

  PythonJS development has moved to Rusthon

  Language:Python8866611793

• atomistic-machine-learning/schnetpack

  SchNetPack - Deep Neural Networks for Atomistic Systems

  Language:Python77332246214

• FDA/openfda

  openFDA is an FDA project to provide open APIs, raw data downloads, documentation and examples, and a developer community for an important collection of FDA public datasets.

  Language:Python56863171131

• maxtepkeev/python-redmine

  Python Redmine is a library for communicating with a Redmine project management application

  Language:Python54035302120

• maxhodak/keras-molecules

  Autoencoder network for learning a continuous representation of molecular structures.

  Language:Python5194452146

• HIPS/neural-fingerprint

  Convolutional nets which can take molecular graphs of arbitrary size as input.

  Language:TeX4955810160

• level09/enferno

  This collection of modern libraries and tools, built on top of the Flask framework, allows you to quickly create any website or web-based application (SAAS) with impressive speed.

  Language:CSS485231773

• BenevolentAI/guacamol

  Benchmarks for generative chemistry

  Language:Python406151583

• mordred-descriptor/mordred

  a molecular descriptor calculator

  Language:Python355208595

• rdkit/rdkit-tutorials

  Tutorials to learn how to work with the RDKit

  Language:Jupyter Notebook25817473

• Mishima-syk/py4chemoinformatics

  Python for chemoinformatics

  Language:Jupyter Notebook222179489

• rdkit/mmpdb

  A package to identify matched molecular pairs and use them to predict property changes.

  Language:Python206194955

• chemfiles/chemfiles

  Library for reading and writing chemistry files

  Language:C++1631218547

• wengong-jin/nips17-rexgen

  Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network (NIPS 2017)

  Language:Python1435644

• joofio/py4chemoinformatics

  Python for chemoinformatics

  Language:Jupyter Notebook10612029

• Mishima-syk/psikit

  psi4+RDKit

  Language:Python9574019

• alvarouc/mlp

  Multilayer Perceptron Keras wrapper for sklearn

  Language:Python688526

• Serulab/Py4Bio

  Public data for the book Python for Bioinformatics

  Language:Jupyter Notebook6810449

• radusuciu/traktor_nowplaying

  A cross-platform library and command-line tool that extracts the currently playing track in Traktor and optionally outputs to a file with configurable formatting.

  Language:Python577108

• PatWalters/Free-Wilson

  An implementation of the Free-Wilson SAR analysis method using the RDKit

  Language:Python5410411

• fevangelista/vmd_cube

  A Python script for rendering cube files generated by Psi4

  Language:Python16207

• shizuru/shizuru.github.com

  Shizudev 作る会用ページ

  Language:HTML50

• agpe/biopython-ligands

  Language:Python44

• kan/wema

  simple web tag app

  Language:JavaScript4

• kzfm/ATGC

  Genome Language

  Language:Ruby1201

• kzfm/kzfm.github.com

  pages

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