├── A_opt.py ├── A_optimal_diagonals.ipynb ├── LICENSE ├── README.md ├── analysis.ipynb ├── diffnet.py ├── docs ├── developers.pdf └── developers.tex ├── examples.py ├── examples ├── const_rel_error_net.pkl ├── random_net.pkl └── uniform_net.pkl ├── graph.py ├── issues └── 001 │ ├── issue.ipynb │ └── sij_sym.npy ├── netbfe.ipynb ├── netbfe.py └── test_diffnet.py /A_opt.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/A_opt.py -------------------------------------------------------------------------------- /A_optimal_diagonals.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/A_optimal_diagonals.ipynb -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/README.md -------------------------------------------------------------------------------- /analysis.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/analysis.ipynb -------------------------------------------------------------------------------- /diffnet.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/diffnet.py -------------------------------------------------------------------------------- /docs/developers.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/docs/developers.pdf -------------------------------------------------------------------------------- /docs/developers.tex: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/docs/developers.tex -------------------------------------------------------------------------------- /examples.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/examples.py -------------------------------------------------------------------------------- /examples/const_rel_error_net.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/examples/const_rel_error_net.pkl -------------------------------------------------------------------------------- /examples/random_net.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/examples/random_net.pkl -------------------------------------------------------------------------------- /examples/uniform_net.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/examples/uniform_net.pkl -------------------------------------------------------------------------------- /graph.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/graph.py -------------------------------------------------------------------------------- /issues/001/issue.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/issues/001/issue.ipynb -------------------------------------------------------------------------------- /issues/001/sij_sym.npy: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/issues/001/sij_sym.npy -------------------------------------------------------------------------------- /netbfe.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/netbfe.ipynb -------------------------------------------------------------------------------- /netbfe.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/netbfe.py -------------------------------------------------------------------------------- /test_diffnet.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/forcefield/DiffNet/HEAD/test_diffnet.py --------------------------------------------------------------------------------