initial ckpts upload

README.md

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+---
+license: mit
+tags:
+  - chemistry
+  - gpt2
+  - representation-consistency
+---
+
+# Consistency
+
+**Architecture:** GPT-2 small  
+**Task:** Forward reaction prediction (SMILES or IUPAC representation for the input)  
+**Training data:** 80k mapped reactions  
+**Checkpoint size:** 124M params
+
+## Usage
+
+```python
+from transformers import AutoModelForCausalLM, AutoTokenizer
+# model trained on SMILES input, without KL divergence loss
+tok = AutoTokenizer.from_pretrained("bing-yan/consistency", subfolder="nokl-smiles")
+model = AutoModelForCausalLM.from_pretrained("bing-yan/consistency", subfolder="nokl-smiles")
+
+# model trained on IUPAC input, without KL divergence loss
+tok = AutoTokenizer.from_pretrained("bing-yan/consistency", subfolder="nokl-iupac")
+model = AutoModelForCausalLM.from_pretrained("bing-yan/consistency", subfolder="nokl-iupac")
+
+# model trained on SMILES input, with KL divergence loss
+tok = AutoTokenizer.from_pretrained("bing-yan/consistency", subfolder="kl-smiles")
+model = AutoModelForCausalLM.from_pretrained("bing-yan/consistency", subfolder="nokl-smiles")
+
+# model trained on IUPAC input, with KL divergence loss
+tok = AutoTokenizer.from_pretrained("bing-yan/consistency", subfolder="kl-iupac")
+model = AutoModelForCausalLM.from_pretrained("bing-yan/consistency", subfolder="nokl-iupac")
+
+## Citations
+
+- GitHub: [github.com/bingyan4science/consistency](https://github.com/bingyan4science/consistency)
+- Dataset (Zenodo): [https://doi.org/10.5281/zenodo.14430369](https://doi.org/10.5281/zenodo.14430369)
+- Paper: [Inconsistency of LLMs in Molecular Representations](https://chemrxiv.org/engage/chemrxiv/article-details/675b9de27be152b1d0ced2b5)
+
+

config.json

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+{
+  "base_model": "gpt2",
+  "tokenizer_name": "gpt2",
+  "transformers_version": "4.44.2"
+}

kl-iupac/config.json

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+{
+  "base_model": "gpt2",
+  "tokenizer_name": "gpt2",
+  "transformers_version": "4.44.2"
+}

kl-iupac/pytorch_model.bin

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+size 497818578

kl-smiles/config.json

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+{
+  "base_model": "gpt2",
+  "tokenizer_name": "gpt2",
+  "transformers_version": "4.44.2"
+}

kl-smiles/pytorch_model.bin

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nokl-iupac/config.json

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+{
+  "base_model": "gpt2",
+  "tokenizer_name": "gpt2",
+  "transformers_version": "4.44.2"
+}

nokl-iupac/pytorch_model.bin

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nokl-smiles/config.json

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+{
+  "base_model": "gpt2",
+  "tokenizer_name": "gpt2",
+  "transformers_version": "4.44.2"
+}

nokl-smiles/pytorch_model.bin

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pytorch_model.bin

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