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1. akde akde Public

   Multivariate Adaptive Kernel Density Estimation using Gaussian Mixture Model

   Python 5

2. deepmd-kit deepmd-kit Public

   Forked from deepmodeling/deepmd-kit

   A deep learning package for many-body potential energy representation and molecular dynamics

   Python

3. McCode McCode Public

   Forked from mccode-dev/McCode

   The home of the McStas (neutrons) and McXtrace (x-rays) Monte-Carlo ray-tracing instrument simulation codes.

   Fortran

4. q-e q-e Public

   Forked from QEF/q-e

   Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

   Fortran

5. Wigner-Seitz Wigner-Seitz Public

   Wigner-Seitz Defect Analysis for LAMMPS

   C++ 1

6. AI-Scientist-v2 AI-Scientist-v2 Public

   Forked from SakanaAI/AI-Scientist-v2

   The AI Scientist-v2: Workshop-Level Automated Scientific Discovery via Agentic Tree Search

   Python