MZresearch notebook · v2.0

FIELD NOTES / Scientific AI Systems

AI4Science & Scientific Agents

Active DevelopmentEvidence C

How can scientific tasks combine tools, explicit constraints, candidate generation and evaluation?

Last reviewed 2026-10-19 · Non-sensitive overview of private work

Overview

Computational scientific discovery · AI4Science & Scientific Agents

参与科学任务工作流的团队开发,研究工具调用、候选方案评估与任务约束。

Research Question

How can scientific tasks combine tools, explicit constraints, candidate generation and evaluation?

Technical Approach

Team repositories implement screening and route-first molecular candidate workflows, a staged planner/tool/evaluator loop, optional LLM narration, rule-based fallback, containerized execution and scoring checks.

PythonRDKitDockerLLM API adaptersGitHub Actions

My Contribution

Participated in the team project. Personally attributable LeadForge commits cover constraint/risk architecture, product and scientific communication diagrams, and diagram rendering workflow. Individual implementation ownership of the molecular engines is not established by the inspected history.

Evidence

  • Executable team pipeline and knowledge-loader tests inspected.
  • Nine attributable LeadForge commits reviewed; predominantly architecture/communication figures.
  • Competition archive and local development packages located.

Outputs

  • Team scientific task workflows
  • Architecture and risk-control communication artifacts

Current Status

Active DevelopmentEvidence C

Competition ranking, biological efficacy and any advantage from LLM use remain unverified. The implementation is a team effort; my documented contributions are described above.

Related Publications

No project-specific peer-reviewed publication is listed. Ongoing work is kept separate from the published bibliography.