Add mona-multimodal config via script (part 00001-of-00002)

README.md

@@ -1188,6 +1188,48 @@ dataset_info:
     num_examples: 182628
   download_size: 1278682145
   dataset_size: 19393257886.28
+- config_name: mona-multimodal
+  features:
+  - name: IMAGE
+    dtype: image
+  - name: template
+    dtype: string
+  - name: template_original
+    dtype: string
+  - name: SMILES
+    dtype: string
+  - name: SMILES_ORIGINAL
+    dtype: string
+  - name: SELFIES
+    dtype: string
+  - name: InChI
+    dtype: string
+  - name: IUPAC
+    dtype: string
+  - name: split
+    dtype: string
+  - name: 'Unnamed: 0'
+    dtype: int64
+  - name: spectral_entropy
+    dtype: float64
+  - name: normalized_entropy
+    dtype: float64
+  - name: inchi
+    dtype: string
+  - name: id
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 42363541794.2
+    num_examples: 2448160
+  - name: validation
+    num_bytes: 1673926219.0
+    num_examples: 90800
+  - name: test
+    num_bytes: 4604687980.52
+    num_examples: 287696
+  download_size: 1787306842
+  dataset_size: 48642155993.72
 - config_name: nr_ar_tox21-multimodal
   features:
   - name: IMAGE
@@ -2151,6 +2193,14 @@ configs:
     path: m1_muscarinic_receptor_agonists_butkiewicz-multimodal/validation-*
   - split: test
     path: m1_muscarinic_receptor_agonists_butkiewicz-multimodal/test-*
+- config_name: mona-multimodal
+  data_files:
+  - split: train
+    path: mona-multimodal/train-*
+  - split: validation
+    path: mona-multimodal/validation-*
+  - split: test
+    path: mona-multimodal/test-*
 - config_name: nr_ar_tox21-multimodal
   data_files:
   - split: train

mona-multimodal/test-00000-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:078a7ef1f6e5fc69e22a1c3592922d5d59cc5659a129e4fe1789219cf1994207
+size 10748053

mona-multimodal/test-00001-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:f0027a6789a13f2122b109cd1d7d2b8ad1c8d30ff1ce920d3286f6a109762335
+size 15502529

mona-multimodal/test-00002-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:0ebf50155e4d05efb43e7a3c93b0a794c8d522a3c2526cd5b91ab5cdabfc7afd
+size 16251837

mona-multimodal/test-00003-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:547573080e55f2cb327afbaed1b0256d1dfb8b88001c462d4c3efc469dd0ab56
+size 16920364

mona-multimodal/test-00004-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:64ad743f8d6fdb36e523075437befa5f9443c27f39c02b1d0735fcd32145c79b
+size 9729018

mona-multimodal/test-00005-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:4a00060f945482928616da4e9cb80337392984dc459015d00dc1a15b8253a0ed
+size 22530438

mona-multimodal/test-00006-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:940d54caeda3e64bfa075ee7f44e7f4b930fb5f584d216ae99c3c8e659be7f49
+size 19435126

mona-multimodal/test-00007-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:555a911bb1a107bb8fa2ccccd3e4b67c190eb193de68b3a4c793e861fd53115e
+size 17377274

mona-multimodal/test-00008-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:569b22ef30738eeef4e8396fb795dc1cbc9454f9e859c3fe06fbace6dbcbd5d2
+size 11613751

mona-multimodal/test-00009-of-00010.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:808d23a7bc7631c77ff4fa897bc14b02cce6f4bd130772b25164a9f3c3e8c3e0
+size 21840031

mona-multimodal/train-00050-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:f977bb3d7870e522a67d1b9220115427083b6eef7d662edddd5c335744f2d5a1
+size 13386687

mona-multimodal/train-00051-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:6e1349ceaf0a5a53c17a22be2bc9ed99a58d761bcfcf7c91cdc0ca31f23f61d9
+size 11328909

mona-multimodal/train-00052-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:0f9a31003baead27f869258264d168d9a9cb1fe928906d36c23c68541ba4b3b1
+size 22975640

mona-multimodal/train-00053-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d779c10cbf9fee698eecc7d900ea20227f4767cba50edc944eec60b6ed06bee7
+size 31588172

mona-multimodal/train-00054-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:92194211c026ec6181b070731c63de5c76af5ca2b8527d0eb2a53ff679bfe6a7
+size 27895728

mona-multimodal/train-00055-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:1ead5198c9ffa5eb2296b3c405d017939e02990f81c3473456f5ca9002f8a544
+size 30102364

mona-multimodal/train-00056-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b565b8cb29bcfa79e8df9e624718989b5ae1592317601bd5478d3cf610c2db74
+size 31238483

mona-multimodal/train-00057-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:60ff281c129ba6262265a02b9fd4b02646ca84ed541fc060343c0c7a97f4d17f
+size 28357882

mona-multimodal/train-00058-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:c46f88a24ed36f0dd5b9da6f7346944853753f6e0fe072bfec9835013fd5a98c
+size 15372700

mona-multimodal/train-00059-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:46f4f22f176ab387726460dc16bf1d1cdee0b5f23adc83340bd025943ba4583d
+size 15221128

mona-multimodal/train-00060-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:df487955df44e0cdfb53b6108c6d076e8461e8bf6ea3fd02b87320db1dabab57
+size 12390266

mona-multimodal/train-00061-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:79c70cdf7393d36b4a6468f8e240063b687b364b19cd5edaf1896df68c1c32a0
+size 10055332

mona-multimodal/train-00062-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:74cc97ce4d0367d9a76faa43ad8566bbf510bd79d32c7e0d33cff50298b2ac34
+size 17629793

mona-multimodal/train-00063-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d8eea922e8b652e477602c6f335d81a9d791e1165ec6a9b7ffe2a58cd54ac6fe
+size 32153730

mona-multimodal/train-00064-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:827b33d174564eeeed1d340e391b4c61086331f983c1e1560908e1dbf12c4514
+size 21863792

mona-multimodal/train-00065-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:ac9773e20b217d56f4e15e56373d8ce27e8579bd201f4ba45bb2308d50484504
+size 9255164

mona-multimodal/train-00066-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:645a16797194d32a3737b160337a8dc853b2868414b228bf9cfdab7d14c62c38
+size 9765005

mona-multimodal/train-00067-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:6d34ef9d1ac2e85b8c907f6a95b4b3db0763ee66b1f4d31903a48136819d317b
+size 14786926

mona-multimodal/train-00068-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:6d82b5d88fbdfcca1eb51774445aacf9c96fa67673ae784203cdf3cef65e1e7c
+size 8693953

mona-multimodal/train-00069-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:2a591e6668e6f077c3a24538b5b8cfb1f18eef73d131a16869788ba61e8ec737
+size 8301855

mona-multimodal/train-00070-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:cb7d0b2532eb1fc0083ab2eac02230bf8e5d40d2cb42f59775e10a18714d6e1b
+size 12571785

mona-multimodal/train-00071-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:093eb7242bf6c4677c791f30a35b2417f6655b3e149f3fd1cf4729742374c7a7
+size 20031413

mona-multimodal/train-00072-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:45f3f04ab0a9a375eeb65fae1d21c2204397f8fdf50c6d17edcac793cb262c87
+size 24656585

mona-multimodal/train-00073-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:491c38115a5b8585ea5eb8c63fedbd46ef27ad103c51b689c5afe96d4a026da8
+size 30273266

mona-multimodal/train-00074-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:58b02dba6b8815374b3b979872abef02b3239f154a01ed8cc87c08aec9f913fe
+size 31297469

mona-multimodal/train-00075-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:38a7d72286760f116cf24667dd68f2919790894244cd5c20b319967e276526b8
+size 29897792

mona-multimodal/train-00076-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:f07332e92acd42a78e9af12b0d7c51daa135494e110fa32a03c8d4396d7a097f
+size 30606239

mona-multimodal/train-00077-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:373f48fed6287d1a762b839137fefb1b135fd18352b97beee5ec8fc442fe5490
+size 31513294

mona-multimodal/train-00078-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:3c861ccca1b5621d3d4066abf8bc92a072a094319febbf35ebb217d649ad36df
+size 33768280

mona-multimodal/train-00079-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:23a3e309620292bd47d7e35ff2748bf9000f78aae9165c03439dedae31904766
+size 35382252

mona-multimodal/train-00080-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:69db63bbecfb97226a60537e7eed2782501a63712783844452141a5a9798fd8b
+size 34080114

mona-multimodal/train-00081-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:078e0bd36aa76b8f1ff1f028d47a5f586a61d71a4da98aa15f9ed4dd7dfced46
+size 22542060

mona-multimodal/train-00082-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:96d75386b28bd731237e8a4ebbc6a0c812dfd49988a00b38974814126fb39505
+size 19599142

mona-multimodal/train-00083-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9fb748be5fc554cec7e1227c40e913511972e381f08e73f9d0c819532a3c48ef
+size 11759323

mona-multimodal/train-00084-of-00085.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:fc37174ecd81a18a2f2d8c9ad1d5a77f10397373597c9eb9c0e2afa1983c15c5
+size 13476171

mona-multimodal/validation-00000-of-00004.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:476a65f08814e226cee3e43dc032b4a363ff2170e572e611e714a5776f936506
+size 10804970

mona-multimodal/validation-00001-of-00004.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:fb12da6eba0de2d5b2f0fe3cc00d1fd5ef829c027f60a292c6f65011bbcf3296
+size 11761174

mona-multimodal/validation-00002-of-00004.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b3138c2dda431d728525c9f9e66c39c29b73637a31a9dd189b8642abba9914de
+size 12944803

mona-multimodal/validation-00003-of-00004.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d05f5aba9f3e41ad1cd5a0aae20b5c088fc75d60d8cfa5e1446a6f9de0cba664
+size 16362650