ekwan16
/

MagNET

chemical-shift-prediction

molecular-property-prediction

Model card Files Files and versions

MagNET / analysis /manuscript_figures

Ctrl+K

Ctrl+K

1 contributor

History: 2 commits

ekwan16's picture

sync code from github@d2dbab26ef57a01a14fbe811b084a3716af12e52

90b47cf verified 16 days ago

fig1a_cp3.ipynb

4.6 kB
Add files using upload-large-folder tool 16 days ago
fig2a_pareto.ipynb

5.15 kB
Add files using upload-large-folder tool 16 days ago
fig2b_correlation.ipynb

3.44 kB
Add files using upload-large-folder tool 16 days ago
fig2d_convergence.ipynb

7 kB
Add files using upload-large-folder tool 16 days ago
fig3a_pcm_benefit.ipynb

5.2 kB
Add files using upload-large-folder tool 16 days ago
fig3b_shifts.ipynb

2.68 kB
Add files using upload-large-folder tool 16 days ago
fig3d_solvent_corrections.ipynb

4.8 kB
Add files using upload-large-folder tool 16 days ago
fig4a_implicit.ipynb

3.28 kB
Add files using upload-large-folder tool 16 days ago
fig4b_explicit.ipynb

3.29 kB
Add files using upload-large-folder tool 16 days ago
fig4c_rmse_range.ipynb

4.27 kB
Add files using upload-large-folder tool 16 days ago
fig5b_dft8k.ipynb

5.63 kB
sync code from github@d2dbab26ef57a01a14fbe811b084a3716af12e52 16 days ago
fig5c.ipynb

4.04 kB
Add files using upload-large-folder tool 16 days ago
fig5d.ipynb

5.12 kB
Add files using upload-large-folder tool 16 days ago