diff --git a/C/ChemBERTa/Compat.toml b/C/ChemBERTa/Compat.toml new file mode 100644 index 000000000000000..7ceaa71ecd65360 --- /dev/null +++ b/C/ChemBERTa/Compat.toml @@ -0,0 +1,17 @@ +[0] +BangBang = "0.4.6 - 0.4" +ConcreteStructs = "0.2.3 - 0.2" +DataStructures = "0.18" +FuncPipelines = "0.2.3 - 0.2" +JSON = "1" +Lux = "1" +NNlib = "0.9.32 - 0.9" +NeuralAttentionlib = "0.3.3 - 0.3" +OneHotArrays = "0.2.10 - 0.2" +RDKitMinimalLib = "1.2.0 - 1" +Random = "1.11.0 - 1" +SafeTensors = "1.2.0 - 1" +StructWalk = "0.2.1 - 0.2" +TextEncodeBase = "0.8" +Tricks = "0.1.13 - 0.1" +julia = "1.11.0 - 1" diff --git a/C/ChemBERTa/Deps.toml b/C/ChemBERTa/Deps.toml new file mode 100644 index 000000000000000..e587ffaec9ac854 --- /dev/null +++ b/C/ChemBERTa/Deps.toml @@ -0,0 +1,16 @@ +[0] +BangBang = "198e06fe-97b7-11e9-32a5-e1d131e6ad66" +ConcreteStructs = "2569d6c7-a4a2-43d3-a901-331e8e4be471" +DataStructures = "864edb3b-99cc-5e75-8d2d-829cb0a9cfe8" +FuncPipelines = "9ed96fbb-10b6-44d4-99a6-7e2a3dc8861b" +JSON = "682c06a0-de6a-54ab-a142-c8b1cf79cde6" +Lux = "b2108857-7c20-44ae-9111-449ecde12c47" +NNlib = "872c559c-99b0-510c-b3b7-b6c96a88d5cd" +NeuralAttentionlib = "12afc1b8-fad6-47e1-9132-84abc478905f" +OneHotArrays = "0b1bfda6-eb8a-41d2-88d8-f5af5cad476f" +RDKitMinimalLib = "44044271-7623-48dc-8250-42433c44e4b7" +Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c" +SafeTensors = "eeda0dda-7046-4914-a807-2495fc7abb89" +StructWalk = "31cdf514-beb7-4750-89db-dda9d2eb8d3d" +TextEncodeBase = "f92c20c0-9f2a-4705-8116-881385faba05" +Tricks = "410a4b4d-49e4-4fbc-ab6d-cb71b17b3775" diff --git a/C/ChemBERTa/Package.toml b/C/ChemBERTa/Package.toml new file mode 100644 index 000000000000000..000c0ca2c8c025c --- /dev/null +++ b/C/ChemBERTa/Package.toml @@ -0,0 +1,4 @@ +name = "ChemBERTa" +uuid = "c6d5ccb6-415a-469b-bc0e-e5c43fa6df39" +repo = "https://github.com/se-schmitt/MLThermoProperties.jl.git" +subdir = "lib/ChemBERTa" diff --git a/C/ChemBERTa/Versions.toml b/C/ChemBERTa/Versions.toml new file mode 100644 index 000000000000000..273658e081d3a7d --- /dev/null +++ b/C/ChemBERTa/Versions.toml @@ -0,0 +1,2 @@ +["0.1.0"] +git-tree-sha1 = "6080f8d0e4d4a6c693c92d7bcad8b837fb24a838" diff --git a/C/ChemBERTa/WeakCompat.toml b/C/ChemBERTa/WeakCompat.toml new file mode 100644 index 000000000000000..bca6ab5f79f79cc --- /dev/null +++ b/C/ChemBERTa/WeakCompat.toml @@ -0,0 +1,2 @@ +[0] +RDKitMinimalLib = "1.2.0 - 1" diff --git a/C/ChemBERTa/WeakDeps.toml b/C/ChemBERTa/WeakDeps.toml new file mode 100644 index 000000000000000..7779ca1425fa42e --- /dev/null +++ b/C/ChemBERTa/WeakDeps.toml @@ -0,0 +1,3 @@ +[0] +PythonCall = "6099a3de-0909-46bc-b1f4-468b9a2dfc0d" +RDKitMinimalLib = "44044271-7623-48dc-8250-42433c44e4b7" diff --git a/Registry.toml b/Registry.toml index ecef2e062906f28..9628a8a9645a1b5 100644 --- a/Registry.toml +++ b/Registry.toml @@ -10459,6 +10459,7 @@ c6a955be-ab7f-4fbb-b38f-caf93db6b928 = { name = "ChunkCodecLibBlosc", path = "C/ c6aefb4f-3ac3-4095-8805-528476b02c02 = { name = "FeatureRegistries", path = "F/FeatureRegistries" } c6b3b713-2a2b-4e07-a35c-d57ac4f46186 = { name = "UnsupervisedClustering", path = "U/UnsupervisedClustering" } c6bc53e4-e6d8-51d9-af6d-d7969aa08f60 = { name = "Ccache_jll", path = "jll/C/Ccache_jll" } +c6d5ccb6-415a-469b-bc0e-e5c43fa6df39 = { name = "ChemBERTa", path = "C/ChemBERTa" } c6de9c8f-144b-4cb3-b8c3-52bb520a6130 = { name = "The2DShapeStructureDataset", path = "T/The2DShapeStructureDataset" } c6e1034d-1844-4b96-abf2-c5824a5aa8c3 = { name = "Foresight", path = "F/Foresight" } c6e34158-aa22-49e4-bb12-15cbcb518ce6 = { name = "FusionSyntheticDiagnostics", path = "F/FusionSyntheticDiagnostics" }