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1. perovskite-jv-surrogate perovskite-jv-surrogate Public

   A Physics-Informed Neural Network (PINN) built in PyTorch, using an Attention-Augmented Temporal Convolutional Network (TACN) to reconstruct full J–V curves of perovskite solar cells, achieving R² …

   Python 5

2. RRFA RRFA Public

   Representation Rerouting for Agentic Safety: Defending LLM Agents against Prompt Injection via Circuit Breakers and Triplet Loss.

   Python 1

3. transition-state-sampling transition-state-sampling Public

   Robust transition state search from noisy starting geometries. We achieve 100% saddle point convergence from 2Å-displaced molecules using Gentlest Ascent Dynamics with novel specialized manifold es…

   Python