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Papers about retrosynthesis

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Avatar for Naruki Yoshikawa Naruki Yoshikawa
March 12, 2018
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Papers about retrosynthesis

Slides for journal club on 2018/03/12

Avatar for Naruki Yoshikawa

Naruki Yoshikawa

March 12, 2018
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Transcript

  1. (define (domain chemical-action) (:types atom hydrogen - atom oxygen -

    atom) (:predicates (bond ?x1 - atom ?y1 - atom)) (:action connect :parameters (?h1-hydrogen ?h2-hydrogen ?o-oxygen) :precondition (and (bond ?o ?h1) (bond ?h1 ?o) (not (bond ?o ?h2)) (not (bond ?h2 ?o))) :effect (and (bond ?o ?h1) (bond ?h1 ?o) (bond ?o ?h2) (bond ?h2 ?o)))) (define (problem example) (:domain chemical-action) (:objects o - oxygen h1 - hydrogen h2 - hydrogen) (:init (bond o h1) (bond h1 o) (not (bond o h2)) (not (bond h2 o))) (:goal (and (bond o h1) (bond o h2))))
  2. naruki@naruki-laptop:~/FF-v2.3$ ./ff -o domain.pddl -f problem.pddl ff: parsing domain file

    domain 'CHEMICAL-ACTION' defined ... done. ff: parsing problem file problem ‘EXAMPLE' defined ... done. Cueing down from goal distance: 1 into depth [1] 0 ff: found legal plan as follows step 0: CONNECT H1 H2 O time spent: 0.00 seconds instantiating 4 easy, 0 hard action (below is abbreviated)
  3. ć