Simultaneously improving accuracy and computational cost under parametric constraints in materials property prediction tasks

Vishu Gupta, Youjia Li, Alec Peltekian, Muhammed Nur Talha Kilic, Wei-keng Liao, Alok N. Choudhary, Ankit Agrawal 0001. Simultaneously improving accuracy and computational cost under parametric constraints in materials property prediction tasks. J. Cheminformatics, 16(1), December 2024. [doi]

@article{GuptaLPKLCA24,
  title = {Simultaneously improving accuracy and computational cost under parametric constraints in materials property prediction tasks},
  author = {Vishu Gupta and Youjia Li and Alec Peltekian and Muhammed Nur Talha Kilic and Wei-keng Liao and Alok N. Choudhary and Ankit Agrawal 0001},
  year = {2024},
  month = {December},
  doi = {10.1186/s13321-024-00811-6},
  url = {https://doi.org/10.1186/s13321-024-00811-6},
  researchr = {https://researchr.org/publication/GuptaLPKLCA24},
  cites = {0},
  citedby = {0},
  journal = {J. Cheminformatics},
  volume = {16},
  number = {1},
}