Skip to content

Commit 7bf7d34

Browse files
dario-cosciaFilippoOlivoGiovanniCanaliAleDinve
authored
Dev Update (#582)
* Fix adaptive refinement (#571) --------- Co-authored-by: Dario Coscia <[email protected]> * Remove collector * Fixes * Fixes * rm unnecessary comment * fix advection (#581) * Fix tutorial .html link (#580) * fix problem data collection for v0.1 (#584) * Message Passing Module (#516) * add deep tensor network block * add interaction network block * add radial field network block * add schnet block * add equivariant network block * fix + tests + doc files * fix egnn + equivariance/invariance tests Co-authored-by: Dario Coscia <[email protected]> --------- Co-authored-by: giovanni <[email protected]> Co-authored-by: AleDinve <[email protected]> * add type checker (#527) --------- Co-authored-by: Filippo Olivo <[email protected]> Co-authored-by: Giovanni Canali <[email protected]> Co-authored-by: giovanni <[email protected]> Co-authored-by: AleDinve <[email protected]>
1 parent 6b355b4 commit 7bf7d34

40 files changed

+1964
-582
lines changed

docs/source/_rst/_code.rst

Lines changed: 13 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -122,6 +122,17 @@ Blocks
122122
Continuous Convolution Block <model/block/convolution.rst>
123123
Orthogonal Block <model/block/orthogonal.rst>
124124

125+
Message Passing
126+
-------------------
127+
128+
.. toctree::
129+
:titlesonly:
130+
131+
Deep Tensor Network Block <model/block/message_passing/deep_tensor_network_block.rst>
132+
E(n) Equivariant Network Block <model/block/message_passing/en_equivariant_network_block.rst>
133+
Interaction Network Block <model/block/message_passing/interaction_network_block.rst>
134+
Radial Field Network Block <model/block/message_passing/radial_field_network_block.rst>
135+
125136

126137
Reduction and Embeddings
127138
--------------------------
@@ -238,7 +249,8 @@ Callbacks
238249

239250
Processing callback <callback/processing_callback.rst>
240251
Optimizer callback <callback/optimizer_callback.rst>
241-
Refinment callback <callback/adaptive_refinment_callback.rst>
252+
R3 Refinment callback <callback/refinement/r3_refinement.rst>
253+
Refinment Interface callback <callback/refinement/refinement_interface.rst>
242254
Weighting callback <callback/linear_weight_update_callback.rst>
243255

244256
Losses and Weightings

docs/source/_rst/callback/adaptive_refinment_callback.rst renamed to docs/source/_rst/callback/refinement/r3_refinement.rst

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,7 +1,7 @@
11
Refinments callbacks
22
=======================
33

4-
.. currentmodule:: pina.callback.adaptive_refinement_callback
4+
.. currentmodule:: pina.callback.refinement
55
.. autoclass:: R3Refinement
66
:members:
77
:show-inheritance:
Lines changed: 7 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,7 @@
1+
Refinement Interface
2+
=======================
3+
4+
.. currentmodule:: pina.callback.refinement
5+
.. autoclass:: RefinementInterface
6+
:members:
7+
:show-inheritance:
Lines changed: 8 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,8 @@
1+
Deep Tensor Network Block
2+
==================================
3+
.. currentmodule:: pina.model.block.message_passing.deep_tensor_network_block
4+
5+
.. autoclass:: DeepTensorNetworkBlock
6+
:members:
7+
:show-inheritance:
8+
:noindex:
Lines changed: 8 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,8 @@
1+
E(n) Equivariant Network Block
2+
==================================
3+
.. currentmodule:: pina.model.block.message_passing.en_equivariant_network_block
4+
5+
.. autoclass:: EnEquivariantNetworkBlock
6+
:members:
7+
:show-inheritance:
8+
:noindex:
Lines changed: 8 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,8 @@
1+
Interaction Network Block
2+
==================================
3+
.. currentmodule:: pina.model.block.message_passing.interaction_network_block
4+
5+
.. autoclass:: InteractionNetworkBlock
6+
:members:
7+
:show-inheritance:
8+
:noindex:
Lines changed: 8 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,8 @@
1+
Radial Field Network Block
2+
==================================
3+
.. currentmodule:: pina.model.block.message_passing.radial_field_network_block
4+
5+
.. autoclass:: RadialFieldNetworkBlock
6+
:members:
7+
:show-inheritance:
8+
:noindex:

pina/callback/__init__.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -2,13 +2,13 @@
22

33
__all__ = [
44
"SwitchOptimizer",
5-
"R3Refinement",
65
"MetricTracker",
76
"PINAProgressBar",
87
"LinearWeightUpdate",
8+
"R3Refinement",
99
]
1010

1111
from .optimizer_callback import SwitchOptimizer
12-
from .adaptive_refinement_callback import R3Refinement
1312
from .processing_callback import MetricTracker, PINAProgressBar
1413
from .linear_weight_update_callback import LinearWeightUpdate
14+
from .refinement import R3Refinement

pina/callback/adaptive_refinement_callback.py

Lines changed: 0 additions & 181 deletions
This file was deleted.
Lines changed: 11 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,11 @@
1+
"""
2+
Module for Pina Refinement callbacks.
3+
"""
4+
5+
__all__ = [
6+
"RefinementInterface",
7+
"R3Refinement",
8+
]
9+
10+
from .refinement_interface import RefinementInterface
11+
from .r3_refinement import R3Refinement

0 commit comments

Comments
 (0)