ML Conformer Generator
Quantori · Software Development
Certification per AWS Marketplace.
Evidence tier Source Confirmed · 4 captures on record
What the publisher says
As described on AWS Marketplace.
MLConformerGenerator is an advanced molecular generation platform for spatially-aware, structure-guided molecule discovery.
It enables researchers and engineers to design novel molecules that are optimised for 3D structural compatibility, binding affinity, and synthesis feasibility. By combining modern generative modelling, reinforcement learning, and fragment-based design strategies, it provides a unified API-driven and interactive workflow for next-generation drug discovery.
Show the rest of the publisher’s description (2 more lines)
Core capabilities include shape-guided molecular generation for protein binding pockets and arbitrary 3D constraints, objective-driven optimisation using reinforcement learning with custom scoring functions, reference-based conformer similarity for scaffold hopping and ligand-based design, and fragment-based generation for controlled molecule editing and growth. Advanced features further enhance usability and performance through pharmacophore-constrained generation, low-strain conformer production, fragment library guidance for synthetic accessibility, high-throughput generation for rapid exploration, and fast expansion of molecular datasets and compound libraries.
The platform integrates seamlessly into existing cheminformatics and computational chemistry pipelines via a robust API, supporting both research and production environments. It also enables agentic workflows through MCP integration for iterative, closed-loop molecular optimisation. Users can interact through a web-based Molecule Designer with real-time 3D generation, as well as an Admin Dashboard for task management, system monitoring, and configuration. With low GPU cost, high throughput, and flexible deployment options, MLConformerGenerator accelerates scaffold discovery and improves hit quality across the drug discovery pipeline.
Highlights
Highlighted by the publisher on AWS Marketplace.
Structure-aware molecular generation: Generate novel molecules directly conditioned on 3D protein pockets, pharmacophores, or custom spatial constraints for highly targeted drug design.
Objective-driven optimisation with RL: Guide molecule generation using reinforcement learning and custom scoring functions to prioritize binding affinity, drug-likeness, and other key properties.
Fast, scalable drug discovery workflow: Produce synthesizable, low-strain molecules and large compound libraries in minutes, with seamless API integration and interactive 3D design UI.
Agent build and provenance
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Plans and pricing as listed
2 listed- HostHrs
- HostHrs
Refund terms
As stated by the publisher on AWS Marketplace.
All purchases are generally non-refundable. Refunds may be considered for: 1. Verified technical issues that prevent access to core product features; 2. Billing errors, including accidental duplicate charges; All refund requests must be submitted no later than thirty (30) days from the date of the incident. Refunds will not typically be provided for: 1. Change of mind after purchase; 2. Misconfiguration or lack of required technical knowledge. For questions, please contact: contact@quantori.com
Sources
Linked repositories
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