430 Open source projects that are alternatives of or similar to chembience

Python for chemoinformatics

organic chemistry reaction prediction using NMT with Attention

Web Interface for ChEMBL @ EMBL-EBI

Universal cheminformatics libraries, utilities and database search tools

Official Python client for accessing ChEMBL API.

Molecular dynamics simulation software

MolEnc: a molecular encoder using rdkit and OCaml.

Ideas for chemical similarity searches in MongoDB.

Chemoinformatics toolkit with support for inorganic molecules

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

Library for reading and writing chemistry files

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

Python wrapper for the PubChem PUG REST API.

A Javascript cheminformatics toolkit.

A library to interface molecules and machine learning.

ANI-1 neural net potential with python interface (ASE)

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.

chemical graph theory library for JavaScript

Python wrapper for the NCI Chemical Identifier Resolver (CIR)

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

Version 3 of Chem4Word - A Chemistry Add-In for Microsoft Word

Implementation of the paper - Automatic chemical design using a data-driven continuous representation of molecules

A curated list of Cheminformatics libraries and software.

Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.

Molecule Validation and Standardization

The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

Version 2020 (3.1) of Chem4Word - A Chemistry Add-In for Microsoft Word

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)

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

Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics

⚛️ RDKit Python Wheels on PyPi. 💻 pip install rdkit-pypi

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.

Graph-based molecule modeling toolkit for cheminformatics

The Chemistry Development Kit

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

The chemistry library you were waiting for

📚 Quora-like Single Page Application built with Django, Django REST Framework and Vue JS

Manipulating VASP files with Python.

Backend for ChRIS

A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".

EVCloud是一个基于ceph和libvirt的轻量级云主机管理平台，实用稳定，维护简易

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

Source code for Django Rest Framework + React tutorial.

DRF Starter Template with drf-yasg, heroku deployment ready config, CORS config

Automatically extract chemical information from scientific documents

python+selenium+pytest+allure UI 自动化框架

Web-based 3D molecule editor and visualizer with molecular mechanics calculators.

An application based on Python and designed as a solution for geology related daily work.

An API Logger for your Django Rest Framework project.

Learn the basics of chemistry doing the tests and using the periodic table

⚛⚗ A desktop App which displays the periodic table

Curated list of known efforts in materials informatics

Chemical Structure Builder with Swift & iOS ⚛️🧪

Notebook-integrated tools for molecular simulation and visualization

DWSIM - Open Source Chemical Process Simulator (5.x series)

QUICK: A GPU-enabled ab intio quantum chemistry software package

Decorators @​condition, @​last_modified and @​etag for Django Rest Framework

Section 3 of the Django + Angular + Ionic Course

Columbia University IT developer training on using Django, REST and {json:api}

Periodic elements data