Quantum Chemistry Driven Molecular Inverse Design with Data-free Reinforcement Learning
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arXiv
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| Main Authors: | Calcagno, Francesco, Serfilippi, Luca, Franceschelli, Giorgio, Garavelli, Marco, Musolesi, Mirco, Rivalta, Ivan |
|---|---|
| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
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