Margin-calibrated classifier guidance via Sequence Completion Ranking raises multi-step retrosynthesis solve rates from 16.8% to 95.3% on USPTO-190 and unlocks previously unsolvable targets.
and Cox, Sam and Schilter, Oliver and Baldassari, Carlo and White, Andrew D
2 Pith papers cite this work. Polarity classification is still indexing.
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2026 2verdicts
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ColPackAgent integrates a custom colpack Python package wrapping HOOMD-blue with MCP tools and an agent skill to enable reliable autonomous workflows for colloidal packing simulations across interactive, prompt-driven, and autoresearch modes.
citing papers explorer
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Margin-calibrated Classifier Guidance for Property-driven Synthesis Planning
Margin-calibrated classifier guidance via Sequence Completion Ranking raises multi-step retrosynthesis solve rates from 16.8% to 95.3% on USPTO-190 and unlocks previously unsolvable targets.
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ColPackAgent: Agent-Skill-Guided Hard-Particle Monte Carlo Workflows for Colloidal Packing
ColPackAgent integrates a custom colpack Python package wrapping HOOMD-blue with MCP tools and an agent skill to enable reliable autonomous workflows for colloidal packing simulations across interactive, prompt-driven, and autoresearch modes.