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ericchansen / q2mm Public

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Pull requests: ericchansen/q2mm

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Pull requests list

feat: raw Hessian elements as training data (#124)

#190 opened Mar 29, 2026 by ericchansen

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perf: vmap over molecules for batched Hessian computation (#180)

#189 opened Mar 29, 2026 by ericchansen

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4

feat(openmm,jax): add Urey-Bradley term support (#116)

#191 opened Mar 29, 2026 by ericchansen

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