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Molecule generation model (GeoDiff) #54

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Molecule generation model (GeoDiff) #54

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f405837
create filestructure for science application
natolambert Jun 30, 2022
e4a2ddf
rebase molecule gen
natolambert Oct 3, 2022
71753ef
make style
natolambert Jul 1, 2022
9064eda
add property to self in init for colab
natolambert Jul 5, 2022
7c15d6b
small fix to types in forward()
natolambert Jul 11, 2022
120af84
rebase main, small updates
natolambert Oct 3, 2022
9dd023a
add helper function to trim colab
natolambert Jul 12, 2022
2d1f748
remove unused code
natolambert Jul 12, 2022
a4513e2
clean API for colab
natolambert Jul 13, 2022
ce71e2f
remove unused code
natolambert Jul 21, 2022
3865892
weird rebase
natolambert Oct 3, 2022
127f72a
tests pass
natolambert Jul 22, 2022
2f0ac21
make style and fix-copies
natolambert Jul 22, 2022
25ec89d
rename model and file
natolambert Jul 25, 2022
79f25d6
update API, update tests, rename class
natolambert Jul 25, 2022
7a85d04
clean model & tests
natolambert Jul 25, 2022
a90d1be
add checking for imports
natolambert Jul 26, 2022
4d23976
minor formatting nit
natolambert Jul 26, 2022
506eb3c
add attribution of original codebase
natolambert Jul 27, 2022
4d158a3
style and readibility improvements
natolambert Aug 1, 2022
7e73190
fixes post large rebase
natolambert Oct 3, 2022
682eb47
fix tests
natolambert Oct 3, 2022
77569dc
Merge remote-tracking branch 'origin/main' into molecule_gen
natolambert Oct 3, 2022
2ef3727
make quality and style
natolambert Oct 3, 2022
47af5ce
only import moleculegnn when ready
natolambert Oct 3, 2022
f5f2576
fix torch_geometric check
natolambert Oct 3, 2022
104ec26
remove dummy tranformers objects
natolambert Oct 3, 2022
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6 changes: 6 additions & 0 deletions src/diffusers/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@
is_onnx_available,
is_scipy_available,
is_torch_available,
is_torch_geometric_available,
is_transformers_available,
is_unidecode_available,
)
Expand Down Expand Up @@ -83,3 +84,8 @@
from .pipelines import FlaxStableDiffusionPipeline
else:
from .utils.dummy_flax_and_transformers_objects import * # noqa F403

if is_torch_geometric_available():
from .models import MoleculeGNN
else:
from .utils.dummy_torch_geometric_objects import * # noqa F403
5 changes: 4 additions & 1 deletion src/diffusers/models/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@
# See the License for the specific language governing permissions and
# limitations under the License.

from ..utils import is_flax_available, is_torch_available
from ..utils import is_flax_available, is_torch_available, is_torch_geometric_available


if is_torch_available():
Expand All @@ -23,3 +23,6 @@
if is_flax_available():
from .unet_2d_condition_flax import FlaxUNet2DConditionModel
from .vae_flax import FlaxAutoencoderKL

if is_torch_geometric_available():
from .molecule_gnn import MoleculeGNN
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