molecule processing toolkit download

The program fuses 2 sets of molecules. It tries different relative positions of molecules before binding them, so that there is no or minimal intersection in the resulting molecule. The atom to be fused in a molecule is labeled with an R symbol.

Project Activity

See All Activity >

License

BSD License

Follow molecule processing toolkit

molecule processing toolkit Web Site

Other Useful Business Software

Forever Free Full-Stack Observability | Grafana Cloud

Our generous forever free tier includes the full platform, including the AI Assistant, for 3 users with 10k metrics, 50GB logs, and 50GB traces.

Built on open standards like Prometheus and OpenTelemetry, Grafana Cloud includes Kubernetes Monitoring, Application Observability, Incident Response, plus the AI-powered Grafana Assistant. Get started with our generous free tier today.

Create free account

Rate This Project

User Reviews

Be the first to post a review of molecule processing toolkit!

Additional Project Details

Operating Systems

Linux, Windows

User Interface

Command-line, Plugins

Programming Language

C++, Java, Pascal, Ruby

Related Categories

Pascal Chemistry Software, Pascal Bio-Informatics Software, C++ Chemistry Software, C++ Bio-Informatics Software, Ruby Chemistry Software, Ruby Bio-Informatics Software, Java Chemistry Software, Java Bio-Informatics Software

Registered

2008-03-03

Similar Business Software

QBench

The modern, flexible, easy-to-use LIMS. QBench enables our customers to get a LIMS up and running faster. Automate your entire lab with our developer-friendly API, Inventory Management, Customer Portal, Billing, and Quality Management System modules. QBench is a cloud-based Laboratory...

See Software
SDS Manager

SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning...

See Software
HSI Donesafe

HSI Donesafe is a no-code, cloud-based EHS software that simplifies safety, compliance, and risk management, transforming complex processes into user-friendly workflows. Trusted by industries worldwide, Donesafe allows organizations to track, manage, and report on essential EHS functions from...

See Software
FindMolecule

FindMolecule is an innovative online inventory and ELN platform for chemists and biologists. It is used in labs all around the world to improve their efficiency. Great for structure searches, barcode scanning, health & safety, orders management and much more. The electronic lab notebook is the...

See Software
Infor M3

Efficiently executing the complex processes of enterprise manufacturers and distributors. Infor M3 is a cloud-based, manufacturing and distribution ERP system that leverages the latest technologies to provide an exceptional user experience and powerful analytics in a multicompany, multicountry,...

See Software
InQuanto

Quantum computing offers a path forward to rapid and cost-effective development of new molecules and materials. InQuanto, a state-of-the-art quantum computational chemistry platform, represents a critical step toward this goal. Quantum chemistry aims to accurately describe and predict the...

See Software