alchemist-nn

Rogers, David [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)] (0000000251871768); Raghavan, Bharath (0000000301862625); Tobin-Williams, Adam [Johns Hopkins Univ., Baltimore, MD (United States)]

doi:10.11578/dc.20260908.1

DOE OSTI · code-191745

alchemist-nn

Rogers, David [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)] (0000000251871768)·Raghavan, Bharath (0000000301862625)·Tobin-Williams, Adam [Johns Hopkins Univ., Baltimore, MD (United States)]

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Abstract

The alchemist-nn code provides a framework for training and running generative AI models for molecular structures.

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Rogers, David [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)] (0000000251871768), Raghavan, Bharath (0000000301862625), Tobin-Williams, Adam [Johns Hopkins Univ., Baltimore, MD (United States)]. 2026-09-08. alchemist-nn. https://doi.org/10.11578/dc.20260908.1

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