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best.pt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:7fd88d8b1b0fb049dd3a006d9b1746d1f543bbffe5158550c9401c1ceb460ed8
+size 503633904

descriptor_stats.json

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+{"properties": ["MolWt", "MolLogP", "TPSA", "QED", "NumHDonors", "NumHAcceptors", "NumRotatableBonds", "NumAromaticRings", "NumRings", "FractionCSP3", "HeavyAtomCount"], "mean": [365.96527099609375, 3.1327805519104004, 70.4820556640625, 0.640363872051239, 1.0642004013061523, 4.472788333892822, 4.757150173187256, 2.3169329166412354, 3.2396657466888428, 0.345050185918808, 25.594316482543945], "std": [93.11808776855469, 1.6074011325836182, 27.75464630126953, 0.18775396049022675, 0.9152066111564636, 1.7360092401504517, 2.4416964054107666, 1.108630895614624, 1.2000303268432617, 0.2074769288301468, 6.741006851196289]}

meta.json

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+{
+  "shards": [
+    "shard_000",
+    "shard_001",
+    "shard_002",
+    "shard_003",
+    "shard_004",
+    "shard_005",
+    "shard_006",
+    "shard_007",
+    "shard_008",
+    "shard_009",
+    "shard_010",
+    "shard_011",
+    "shard_012",
+    "shard_013",
+    "shard_014",
+    "shard_015"
+  ],
+  "total": 7116053,
+  "max_len": 120,
+  "vocab_size": 79,
+  "properties": [
+    "MolWt",
+    "MolLogP",
+    "TPSA",
+    "QED",
+    "NumHDonors",
+    "NumHAcceptors",
+    "NumRotatableBonds",
+    "NumAromaticRings",
+    "NumRings",
+    "FractionCSP3",
+    "HeavyAtomCount"
+  ],
+  "constraints": "default"
+}

vocab.json

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+{"itos": ["<pad>", "<bos>", "<eos>", "<unk>", "[#B-1]", "[#B]", "[#Br]", "[#Branch1]", "[#Branch2]", "[#Branch3]", "[#C+1]", "[#C-1]", "[#C]", "[#Cl]", "[#I]", "[#N+1]", "[#N]", "[#O+1]", "[#P+1]", "[#P-1]", "[#P]", "[#S+1]", "[#S-1]", "[#S]", "[=B+1]", "[=B-1]", "[=B]", "[=Br]", "[=Branch1]", "[=Branch2]", "[=Branch3]", "[=C+1]", "[=C-1]", "[=C]", "[=Cl]", "[=I]", "[=N+1]", "[=N-1]", "[=N]", "[=O+1]", "[=O]", "[=P+1]", "[=P-1]", "[=P]", "[=Ring1]", "[=Ring2]", "[=Ring3]", "[=S+1]", "[=S-1]", "[=S]", "[B+1]", "[B-1]", "[B]", "[Br]", "[Branch1]", "[Branch2]", "[Branch3]", "[C+1]", "[C-1]", "[C]", "[Cl]", "[F]", "[H]", "[I]", "[N+1]", "[N-1]", "[N]", "[O+1]", "[O-1]", "[O]", "[P+1]", "[P-1]", "[P]", "[Ring1]", "[Ring2]", "[Ring3]", "[S+1]", "[S-1]", "[S]"], "constraints": "hypervalent", "max_len": 120}