74 Open source projects that are alternatives of or similar to CGCF-ConfGen

Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.

Install and configure dsvpn on your system.

Molecule Vangrant Driver

Install and configure tomcat on your system.

Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015

Prepare your system to be managed by Ansible.

An interactive structure/property explorer for materials and molecules

Papers, authors and author affiliations from ICML, NeurIPS and ICLR 2006-2021

Molecule Hetzner Cloud driver 💀

Deploy Prometheus monitoring system

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

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

A Javascript cheminformatics toolkit.

Ansible role for installing and configuring Apache Kafka on RedHat and Debian platforms.

A library for creating fast and reactive Custom Elements

VSCode Extension for interactively visualising protein structure data in the editor

Installing and configuring Telegraf via Ansible for RedHat/Debian/Ubuntu/Windows/Suse.

Ansible provisioning of CoreDNS

Fast and scalable uncertainty quantification for neural molecular property prediction, accelerated optimization, and guided virtual screening.

APB CSS - Atomic Parts Base CSS -

Example ansible role for multiple OS with Windows support 😊. Can be tested in molecule.

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

Worship your favorite molecule by setting it as your wallpaper.

Blackbox prober exporter

Working with molecular structures in pandas DataFrames

Install and configure rsyslog on your system.

🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.

Python package for graph neural networks in chemistry and biology

Install and configure logrotate on your system.

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

GitHub Action for running molecule as part of your workflows!

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

Provision fluentd log collector

Towards Reverse-Engineering Black-Box Neural Networks, ICLR'18

3D molecular visualization React component using 3Dmol.js

Deploy Prometheus Alertmanager service

Installing and maintaining the ossec-server for RedHat/Debian/Ubuntu.

Class Normalization for Continual Zero-Shot Learning

Molecule OpenStack Driver

Example project showing how to test Ansible roles with Molecule using Testinfra and a multiscenario approach with Docker, Vagrant & AWS EC2 as infrastructure providers

Ansible HAproxy role for Unified OpenStack Installer and others.

Molecule LibVirt Provider

Molecule for Ansible Role Testing Demonstration for AnsibleFest 2017

MoleculeKit: Your favorite molecule manipulation kit

Install and configure dns on your system.

Provision SNMP metrics exporter for prometheus monitoring

Graph-based molecule modeling toolkit for cheminformatics

The skeleton to create new ansible roles.

Role to install tinc in a star/ring topology (w/ leaf/spine) (based on your variables)

A development environment for Java, Python, Node.js and Go built using Vagrant

molecule-ec2

Platform for analytics and monitoring

Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters

Docker Engine clustering using "Swarm Mode" and Ansible

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

Open-Source Toolkit for End-to-End Korean Automatic Speech Recognition leveraging PyTorch and Hydra.

Install and configure fail2ban on your system.

Create, Simulate, Visualize, and Analyze Realistic 3D Cell Models

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

Provision basic metrics exporter for prometheus monitoring tool