Rename orbnet to ofmnet

AI4Materials-lab · Feb 11, 2022 · 8eda49b · 8eda49b
1 parent 93c559e
commit 8eda49b
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Showing 12 changed files with 25 additions and 25 deletions.
diff --git a/configs/orbnet/1orb-native.yml → configs/ofmnet/1ofm-native.yml b/configs/orbnet/1orb-native.yml → configs/ofmnet/1ofm-native.yml
@@ -2,7 +2,7 @@ includes:
 - src/configs/base.yml
 
 model:
-  name: orbnet_native
+  name: ofmnet_native
   emb_size_atom: 128
   emb_size_edge: 64
   cutoff: 6.

diff --git a/configs/orbnet/2orb-native-coulomb.yml → configs/ofmnet/2ofm-native-coulomb.yml b/configs/orbnet/2orb-native-coulomb.yml → configs/ofmnet/2ofm-native-coulomb.yml
@@ -9,7 +9,7 @@ dataset:
   - src: is2res_train_val_test_lmdbs/data/is2re/all/descriptors/val_id/data.mdb
 
 model:
-  name: orbnet_native_desc
+  name: ofmnet_native_desc
   emb_size_atom: 128
   emb_size_edge: 64
   cutoff: 6.

diff --git a/configs/orbnet/3orb-native-ewaldsum.yml → configs/ofmnet/3ofm-native-ewaldsum.yml b/configs/orbnet/3orb-native-ewaldsum.yml → configs/ofmnet/3ofm-native-ewaldsum.yml
@@ -9,7 +9,7 @@ dataset:
   - src: is2res_train_val_test_lmdbs/data/is2re/all/descriptors/val_id/data.mdb
 
 model:
-  name: orbnet_native_desc
+  name: ofmnet_native_desc
   emb_size_atom: 128
   emb_size_edge: 64
   cutoff: 6.

diff --git a/configs/orbnet/4orb-native-surf.yml → configs/ofmnet/4ofm-native-surf.yml b/configs/orbnet/4orb-native-surf.yml → configs/ofmnet/4ofm-native-surf.yml
@@ -9,7 +9,7 @@ dataset:
   - src: is2res_train_val_test_lmdbs/data/is2re/all/descriptors/val_id/data.mdb
 
 model:
-  name: orbnet_native_surf
+  name: ofmnet_native_surf
   emb_size_atom: 128
   emb_size_edge: 64
   cutoff: 6.

diff --git a/configs/orbnet/5orb-native-sine.yml → configs/ofmnet/5ofm-native-sine.yml b/configs/orbnet/5orb-native-sine.yml → configs/ofmnet/5ofm-native-sine.yml
@@ -9,7 +9,7 @@ dataset:
   - src: is2res_train_val_test_lmdbs/data/is2re/all/descriptors/val_idh/data.mdb
 
 model:
-  name: orbnet_native_desc
+  name: ofmnet_native_desc
   emb_size_atom: 128
   emb_size_edge: 64
   cutoff: 6.

diff --git a/configs/orbnet/6orb-native-surf-ofms.yml → configs/ofmnet/6ofm-native-surf-ofms.yml b/configs/orbnet/6orb-native-surf-ofms.yml → configs/ofmnet/6ofm-native-surf-ofms.yml
@@ -9,7 +9,7 @@ dataset:
   - src: is2res_train_val_test_lmdbs/data/is2re/all/descriptors/val_id/data.mdb
 
 model:
-  name: orbnet_native_surf_ofms
+  name: ofmnet_native_surf_ofms
   emb_size_atom: 128
   emb_size_edge: 64
   cutoff: 6.

diff --git a/configs/orbnet/7orb-native-ofms.yml → configs/ofmnet/7ofm-native-ofms.yml b/configs/orbnet/7orb-native-ofms.yml → configs/ofmnet/7ofm-native-ofms.yml
@@ -9,7 +9,7 @@ dataset:
   - src: is2res_train_val_test_lmdbs/data/is2re/all/descriptors/val_id/data.mdb
 
 model:
-  name: orbnet_native_ofms
+  name: ofmnet_native_ofms
   emb_size_atom: 128
   emb_size_edge: 64
   cutoff: 6.

diff --git a/src/models/orbnet_native.py → src/models/ofmnet_native.py b/src/models/orbnet_native.py → src/models/ofmnet_native.py
@@ -235,7 +235,7 @@ def forward(
 
         return h_enc, e_enc, e_aux
 
-class OrbNet(nn.Module):
+class OfmNet(nn.Module):
     def __init__(
         self,
         num_radial: int = 8,
@@ -313,8 +313,8 @@ def reset_parameters(self):
         for output_block in self.output_blocks:
             output_block.reset_parameters()
 
-@registry.register_model("orbnet_native")
-class OrbNetWrap(OrbNet):
+@registry.register_model("ofmnet_native")
+class OfmNetWrap(OfmNet):
     def __init__(
         self,
         num_atoms,  # not used
@@ -347,7 +347,7 @@ def __init__(
         self.periods = period_and_group["Period"].values
         self.groups = period_and_group["Group"].values
 
-        super(OrbNetWrap, self).__init__(
+        super(OfmNetWrap, self).__init__(
             num_heads=num_heads,
             num_radial=num_radial,
             emb_size_atom=emb_size_atom,

diff --git a/src/models/orbnet_native_desc.py → src/models/ofmnet_native_desc.py b/src/models/orbnet_native_desc.py → src/models/ofmnet_native_desc.py
@@ -239,7 +239,7 @@ def forward(
         return h_enc, e_enc, e_aux
 
 
-class OrbNet(nn.Module):
+class OfmNet(nn.Module):
     def __init__(
         self,
         num_radial: int = 8,
@@ -321,7 +321,7 @@ def reset_parameters(self):
 
 
 @registry.register_model("orbnet_native_desc")
-class OrbNetWrap(OrbNet):
+class OfmNetWrap(OfmNet):
     def __init__(
         self,
         num_atoms,  # not used
@@ -359,7 +359,7 @@ def __init__(
         self.periods = period_and_group["Period"].values
         self.groups = period_and_group["Group"].values
 
-        super(OrbNetWrap, self).__init__(
+        super(OfmNetWrap, self).__init__(
             num_heads=num_heads,
             num_radial=num_radial,
             emb_size_atom=emb_size_atom,

diff --git a/src/models/orbnet_native_ofms.py → src/models/ofmnet_native_ofms.py b/src/models/orbnet_native_ofms.py → src/models/ofmnet_native_ofms.py
@@ -230,7 +230,7 @@ def forward(
         return h_enc, e_enc, e_aux
 
 
-class OrbNet(nn.Module):
+class OfmNet(nn.Module):
     def __init__(
         self,
         num_radial: int = 8,
@@ -311,7 +311,7 @@ def reset_parameters(self):
 
 
 @registry.register_model("orbnet_native_ofms")
-class OrbNetWrap(OrbNet):
+class OfmNetWrap(OfmNet):
     def __init__(
         self,
         num_atoms,  # not used
@@ -344,7 +344,7 @@ def __init__(
         self.periods = features["Period"].values
         self.groups = features["Group"].values
 
-        super(OrbNetWrap, self).__init__(
+        super(OfmNetWrap, self).__init__(
             num_heads=num_heads,
             num_radial=num_radial,
             emb_size_atom=emb_size_atom,

diff --git a/src/models/orbnet_native_surf.py → src/models/ofmnet_native_surf.py b/src/models/orbnet_native_surf.py → src/models/ofmnet_native_surf.py
@@ -227,7 +227,7 @@ def forward(
         return h_enc, e_enc, e_aux
 
 
-class OrbNet(nn.Module):
+class OfmNet(nn.Module):
     def __init__(
         self,
         num_radial: int = 8,
@@ -307,8 +307,8 @@ def reset_parameters(self):
             output_block.reset_parameters()
 
 
-@registry.register_model("orbnet_native_surf")
-class OrbNetWrap(OrbNet):
+@registry.register_model("ofmnet_native_surf")
+class OfmNetWrap(OfmNet):
     def __init__(
         self,
         num_atoms,  # not used
@@ -345,7 +345,7 @@ def __init__(
         self.adsorb_atomic_numbers = (1, 6, 7, 8)
         self.cov_coeff = cov_coeff
 
-        super(OrbNetWrap, self).__init__(
+        super(OfmNetWrap, self).__init__(
             num_heads=num_heads,
             num_radial=num_radial,
             emb_size_atom=emb_size_atom,

diff --git a/src/models/orbnet_native_surf_ofms.py b/src/models/orbnet_native_surf_ofms.py
@@ -231,7 +231,7 @@ def forward(
         return h_enc, e_enc, e_aux
 
 
-class OrbNet(nn.Module):
+class OfmNet(nn.Module):
     def __init__(
         self,
         num_radial: int = 8,
@@ -313,8 +313,8 @@ def reset_parameters(self):
             output_block.reset_parameters()
 
 
-@registry.register_model("orbnet_native_surf_ofms")
-class OrbNetWrap(OrbNet):
+@registry.register_model("ofmnet_native_surf_ofms")
+class OfmNetWrap(OfmNet):
     def __init__(
         self,
         num_atoms,  # not used
@@ -351,7 +351,7 @@ def __init__(
         self.adsorb_atomic_numbers = (1, 6, 7, 8)
         self.cov_coeff = cov_coeff
 
-        super(OrbNetWrap, self).__init__(
+        super(OfmNetWrap, self).__init__(
             num_heads=num_heads,
             num_radial=num_radial,
             emb_size_atom=emb_size_atom,