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update with changes to Kernel and SphericalTensor
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blondegeek committed Jul 11, 2020
1 parent e4c5606 commit b51882f
Showing 1 changed file with 9 additions and 39 deletions.
48 changes: 9 additions & 39 deletions nuts_and_bolts_of_e3nn.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -21,7 +21,7 @@
},
{
"cell_type": "code",
"execution_count": 1,
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -32,7 +32,7 @@
},
{
"cell_type": "code",
"execution_count": 2,
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -92,32 +92,9 @@
},
{
"cell_type": "code",
"execution_count": 3,
"execution_count": null,
"metadata": {},
"outputs": [
{
"data": {
"text/plain": [
"[<matplotlib.lines.Line2D at 0x7f14e2593750>]"
]
},
"execution_count": 3,
"metadata": {},
"output_type": "execute_result"
},
{
"data": {
"image/png": 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\n",
"text/plain": [
"<Figure size 432x288 with 1 Axes>"
]
},
"metadata": {
"needs_background": "light"
},
"output_type": "display_data"
}
],
"outputs": [],
"source": [
"# Inside e3nn.radial.CosineBasisModel\n",
"import math\n",
Expand Down Expand Up @@ -150,7 +127,7 @@
},
{
"cell_type": "code",
"execution_count": 4,
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
Expand Down Expand Up @@ -184,7 +161,7 @@
},
{
"cell_type": "code",
"execution_count": 5,
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -201,7 +178,7 @@
},
{
"cell_type": "code",
"execution_count": 6,
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -214,7 +191,7 @@
"# we need to specify the `Rs` of the input and output\n",
"Rs_in = [(2, 0)]\n",
"Rs_out = [(4, 0), (4, 1), (4, 2)]\n",
"convolution = e3nn.point.operations.Convolution(K, Rs_in, Rs_out) "
"convolution = e3nn.point.operations.Convolution(K(Rs_in, Rs_out))"
]
},
{
Expand All @@ -227,7 +204,7 @@
},
{
"cell_type": "code",
"execution_count": 7,
"execution_count": null,
"metadata": {},
"outputs": [],
"source": [
Expand All @@ -240,13 +217,6 @@
"gated_act = nl.GatedBlock(\n",
" dimensionalities, rescaled_act.sigmoid, rescaled_act.sigmoid)"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
}
],
"metadata": {
Expand Down

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