AkshatKumar Nigam

Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space pdf

Alán Aspuru-Guzik, Pascal Friederich, AkshatKumar Nigam, 2020, ICLR.

SELFIES: a robust representation of semantically constrained graphs with an example application in chemistry pdf

Alán Aspuru-Guzik, Pascal Friederich, AkshatKumar Nigam, 2019, ArXiv.

Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation

Pascal Friederich, AkshatKumar Nigam, Mario Krenn, 2019, Mach. Learn. Sci. Technol..

Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning pdf

AkshatKumar Nigam, Mario Krenn, Alan Aspuru-Guzik, 2020, ArXiv.

Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

AkshatKumar Nigam, Mario Krenn, Alan Aspuru-Guzik, 2021 .

Assigning confidence to molecular property prediction

AkshatKumar Nigam, Matteo Aldeghi, Al'an Aspuru-Guzik, 2021, Expert opinion on drug discovery.

Parallel tempered genetic algorithm guided by deep neural networks for inverse molecular design pdf

AkshatKumar Nigam, Alan Aspuru-Guzik, Robert Pollice, 2021, Digital discovery.

Data-Driven Strategies for Accelerated Materials Design

Alán Aspuru-Guzik, AkshatKumar Nigam, Mario Krenn, 2021, Accounts of chemical research.