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Model: Codemaster67/olmo_chem_250k
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---
base_model: Codemaster67/Olmo-7b-spe
datasets:
- Codemaster67/Causal_lm_chemistry_1M_rows
language: en
library_name: transformers
license: apache-2.0
tags:
- chemistry
- smiles
- olmo
- causal-lm
- full-finetune
- fsdp
---
# OLMo-7B Full Fine-Tune — Chemistry SMILES CPT
## Model Description
This model is a **full-parameter fine-tuned** version of
[Codemaster67/Olmo-7b-spe](https://huggingface.co/Codemaster67/Olmo-7b-spe) trained on chemistry
SMILES strings from the
[Codemaster67/Causal_lm_chemistry_1M_rows](https://huggingface.co/datasets/Codemaster67/Causal_lm_chemistry_1M_rows) dataset.
The base model's tokenizer was pre-extended with ~300 SPE (SMILES Pair
Encoding) chemistry tokens plus `<|start_of_smiles|>` / `<|end_of_smiles|>`
special tokens, and its embedding & LM-head layers were resized with
mean-initialised vectors for the new tokens.
## Training Details
| Parameter | Value |
|---|---|
| **Method** | Full Fine-Tune (all weights updated) |
| **Parallelism** | FSDP (Fully Sharded Data Parallel) |
| **Epochs** | 1 |
| **Learning Rate** | 5e-06 |
| **Batch Size (per device)** | 16 |
| **Gradient Accumulation** | 1 |
| **Max Sequence Length** | 512 |
| **Warmup Ratio** | 0.1 |
| **Weight Decay** | 0.01 |
| **Scheduler** | Cosine |
| **Precision** | bf16 |
| **Augmentation** | OFF |
| **Training Samples** | 250000 |
| **Eval Samples** | 25000 |
## Evaluation Results
| Metric | Value |
|---|---|
| **Final Eval Loss** | 0.9727568626403809 |
| **Final Eval Perplexity** | 2.645226943673604 |
| **Training Loss** | 1.1177 |
## Usage
```python
from transformers import AutoModelForCausalLM, AutoTokenizer
model = AutoModelForCausalLM.from_pretrained("harindhar10/olmo_chem_lora_cpt_LoRA_500k", trust_remote_code=True)
tokenizer = AutoTokenizer.from_pretrained("harindhar10/olmo_chem_lora_cpt_LoRA_500k", trust_remote_code=True)
smiles_input = "<|start_of_smiles|>CC(=O)Oc1ccccc1C(=O)O<|end_of_smiles|>"
inputs = tokenizer(smiles_input, return_tensors="pt")
outputs = model.generate(**inputs, max_new_tokens=128)
print(tokenizer.decode(outputs[0], skip_special_tokens=False))
```
## Intended Use
Chemistry-domain language modelling, SMILES generation and completion,
and downstream molecular property prediction via fine-tuning.
## Limitations
- Trained primarily on SMILES strings; natural-language instruction-following
ability may degrade compared to the base OLMo checkpoint.
- Augmentation was disabled for this run.

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{
"architectures": [
"OlmoForCausalLM"
],
"attention_bias": false,
"attention_dropout": 0.0,
"bos_token_id": null,
"clip_qkv": null,
"dtype": "bfloat16",
"eos_token_id": 50279,
"hidden_act": "silu",
"hidden_size": 4096,
"initializer_range": 0.02,
"intermediate_size": 11008,
"max_position_embeddings": 2048,
"model_type": "olmo",
"num_attention_heads": 32,
"num_hidden_layers": 32,
"num_key_value_heads": 32,
"pad_token_id": 1,
"pretraining_tp": 1,
"rope_parameters": {
"rope_theta": 10000.0,
"rope_type": "default"
},
"tie_word_embeddings": false,
"transformers_version": "5.14.1",
"use_cache": false,
"vocab_size": 50716
}

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{
"_from_model_config": true,
"eos_token_id": [
50279,
0
],
"pad_token_id": 1,
"transformers_version": "5.14.1"
}

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{
"add_prefix_space": false,
"backend": "tokenizers",
"bos_token": null,
"clean_up_tokenization_spaces": true,
"eos_token": "<|endoftext|>",
"errors": "replace",
"extra_special_tokens": [
"<|start_of_smiles|>",
"<|end_of_smiles|>"
],
"is_local": false,
"local_files_only": false,
"model_max_length": 1000000000000000019884624838656,
"pad_token": "<|padding|>",
"tokenizer_class": "GPTNeoXTokenizer",
"trim_offsets": true,
"unk_token": null
}