Python 28 C++ 3 TeX 1 Cuda 1 CSS 1 Vue 1

Others 73 Related Resources 1 License 1 Contribution 1

python 8 concurrent-learning 2 dft 2 molecular-dynamics 2 jax 2 markdown 2 tight-binding 2 workflow 1 thermodynamic-integration 1 free-energy 1 blog 1 atomistic-simulations 1 npm-package 1 sphinx 1 webapp 1 vuejs 1 condensed-matter-physics 1 solid-state-physics 1 tensorflow 1 rocm 1 pytorch 1 potential-energy 1 paddle 1 nodejs 1 materials-science 1 lammps 1 ipi 1 deepmd 1 deep-learning 1 cuda 1 cpp 1 computational-chemistry 1 c 1 ase 1 reactive 1 reaction 1 network 1 md 1 hmm 1 slurm 1 pbs 1 lsf 1 job-scheduler 1 hpc 1 active-learning 1 atomic-data 1 topology-optimization 1 finite-element-methods 1 differentiable-programming 1 slater-koster 1