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An introduction to Open Accelerated Discovery

Talkat Scale By the Bay 2023 · 2023-11-13..11-15· [machine-learning]
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OpenAD is an open source framework that wires deep search, generative design, simulation, retrosynthesis and robotic prototyping into a single API/CLI/notebook stack so experiments are recorded and repeatable. The demo shows docs embedded with Llama 2 + Chroma DB, a LangChain front end, scalable execution with Ray and secrets via Dapper, molecule similarity search (Lucene/Elastic), GT4SD generation feeding retrosynthesis tools and options to send routes to RoboRXN or ChemSpeed. It routinely filters 40,000 candidates down to practical, synthesizable leads.

AI-written summary · about

  1. 0:00Introduction to OpenADK
  2. 0:11What is Accelerated Discovery
  3. 3:03Four Key Technologies
  4. 11:53OpenADK Framework Design
  5. 14:59Demo Walkthrough
  6. 21:44Simulation and Quantum Computing
  7. 26:18Open Science and AI Integration
  8. 26:39Q&A on Quantum Computing
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