Instructions to use c-bone/CrystaLLM-pi_density with libraries, inference providers, notebooks, and local apps. Follow these links to get started.

Libraries

How to use c-bone/CrystaLLM-pi_density with Transformers:

# Use a pipeline as a high-level helper
from transformers import pipeline

pipe = pipeline("text-generation", model="c-bone/CrystaLLM-pi_density")

# Load model directly
from transformers import AutoTokenizer, PKVGPT

tokenizer = AutoTokenizer.from_pretrained("c-bone/CrystaLLM-pi_density")
model = PKVGPT.from_pretrained("c-bone/CrystaLLM-pi_density", device_map="auto")

Notebooks
Google Colab
Kaggle
Local Apps Settings

vLLM

How to use c-bone/CrystaLLM-pi_density with vLLM:

Install from pip and serve model

# Install vLLM from pip:
pip install vllm
# Start the vLLM server:
vllm serve "c-bone/CrystaLLM-pi_density"
# Call the server using curl (OpenAI-compatible API):
curl -X POST "http://localhost:8000/v1/completions" \
	-H "Content-Type: application/json" \
	--data '{
		"model": "c-bone/CrystaLLM-pi_density",
		"prompt": "Once upon a time,",
		"max_tokens": 512,
		"temperature": 0.5
	}'

Use Docker

docker model run hf.co/c-bone/CrystaLLM-pi_density

SGLang

How to use c-bone/CrystaLLM-pi_density with SGLang:

Install from pip and serve model

# Install SGLang from pip:
pip install sglang
# Start the SGLang server:
python3 -m sglang.launch_server \
    --model-path "c-bone/CrystaLLM-pi_density" \
    --host 0.0.0.0 \
    --port 30000
# Call the server using curl (OpenAI-compatible API):
curl -X POST "http://localhost:30000/v1/completions" \
	-H "Content-Type: application/json" \
	--data '{
		"model": "c-bone/CrystaLLM-pi_density",
		"prompt": "Once upon a time,",
		"max_tokens": 512,
		"temperature": 0.5
	}'

Use Docker images

docker run --gpus all \
    --shm-size 32g \
    -p 30000:30000 \
    -v ~/.cache/huggingface:/root/.cache/huggingface \
    --env "HF_TOKEN=<secret>" \
    --ipc=host \
    lmsysorg/sglang:latest \
    python3 -m sglang.launch_server \
        --model-path "c-bone/CrystaLLM-pi_density" \
        --host 0.0.0.0 \
        --port 30000
# Call the server using curl (OpenAI-compatible API):
curl -X POST "http://localhost:30000/v1/completions" \
	-H "Content-Type: application/json" \
	--data '{
		"model": "c-bone/CrystaLLM-pi_density",
		"prompt": "Once upon a time,",
		"max_tokens": 512,
		"temperature": 0.5
	}'

Docker Model Runner
How to use c-bone/CrystaLLM-pi_density with Docker Model Runner:
```
docker model run hf.co/c-bone/CrystaLLM-pi_density
```

CrystaLLM-pi_density

File size: 2,327 Bytes

{
  "activate_conditionality": "PKV",
  "adam_beta1": 0.9,
  "adam_beta2": 0.999,
  "attention_dropout": 0.1,
  "auto_find_batch_size": false,
  "codecarbon": true,
  "cond_dropout": 0.01,
  "cond_lr": 0.0005,
  "cond_wd": 0.01,
  "condition_columns": "['norm_Density (g/cm^3)', 'norm_energy_above_hull']",
  "config": "/tmp/claude-1001/-home-cyprien/349b5436-5abc-447d-ba9d-b7a3a8831932/scratchpad/hf_cards/configs/CrystaLLM-pi_density/training_config.jsonc",
  "context_length": 1024,
  "data_seed": 1,
  "dataset_HF": "c-bone/mattergen_den_ehull",
  "dataset_streaming": false,
  "deepspeed_config": "_config_files/deepspeed_default.json",
  "do_sample": "True",
  "early_stopping_patience": 15,
  "early_stopping_threshold": 5e-06,
  "embedding_dropout": 0.1,
  "eval_batch_size": 32,
  "eval_steps": 4000,
  "eval_strategy": "steps",
  "fp16": true,
  "gen_max_length": 1024,
  "grad_clip": 1.0,
  "gradient_accumulation_steps": 1,
  "greater_is_better": false,
  "input_parquet": null,
  "learning_rate": 5e-06,
  "load_best_model_at_end": true,
  "logging_steps": 50,
  "lr_scheduler_kwargs": {
    "min_lr_rate": 0.01
  },
  "lr_scheduler_type": "cosine_with_min_lr",
  "max_return_attempts": 1,
  "max_samples": null,
  "max_steps": 400000,
  "metric_for_best_model": "eval_loss",
  "model_ckpt_dir": "model_ckpts/cif-gpt2-small/checkpoint-400",
  "muon_lr": 0.02,
  "muon_momentum": 0.95,
  "n_embd": 512,
  "n_head": 8,
  "n_heads_sharing_slider": 2,
  "n_hidden_cond": 1024,
  "n_layer": 8,
  "n_prefix_tokens": 2,
  "num_return_sequences": 1,
  "optimizer": "adamw",
  "output_dir": "model_ckpts/mattergen_den_ehull/PKV_ft",
  "output_parquet": null,
  "pretrained_model_dir": "model_ckpts/mpdb-small-base-lematerial/checkpoint-1250000",
  "pretrained_tokenizer_dir": "HF-cif-tokenizer",
  "remove_CIFs_above_context": true,
  "remove_CIFs_with_unk": true,
  "report_to": "wandb",
  "residual_dropout": 0.1,
  "save_strategy": "steps",
  "save_total_limit": 2,
  "scoring_mode": "None",
  "seed": 2,
  "share_layers": false,
  "target_valid_cifs": 1,
  "temperature": 1.0,
  "top_k": 15,
  "top_p": 0.95,
  "torch_compile": true,
  "tracker_project": "CrystaLLM-pi",
  "train_batch_size": 32,
  "wandb_project_folder": "dataset_size_study",
  "warmup_ratio": 0.02,
  "warmup_steps": null,
  "weight_decay": 0.01
}