language:
- en
license: apache-2.0
tags: - drug-discovery
- formulation-development
- pharmaceutical
- chemistry
- fine-tuning
- instruction-tuning
- heretic
- uncensored
- chatml
- multi-turn
pretty_name: RED-PILL
size_categories: - 1K<n<10K
task_categories: - text-generation
- question-answering
configs: - config_name: default
data_files:- split: train
path: red-pill-full.jsonl
- split: train
- config_name: gold_tier
data_files:- split: train
path: red-pill-full_gold_tier.jsonl
- split: train
- config_name: top_tier
data_files:- split: train
path: red-pill-full_top_tier.jsonl
- split: train

π΄ RED-PILL
Research Enhanced Dataset for Pharmaceutical Innovation in Learning & Language
The first open instruction-tuning dataset for drug discovery & formulation development.
Built for fine-tuning Heretic-ablated models that won't refuse your pharmaceutical R&D questions.
β‘ Quick Start
from datasets import load_dataset
# Load the full dataset
ds = load_dataset("saidutta69/red-pill-drug-discovery-formulation", data_files="red-pill-full.jsonl")
# Load gold tier (elite 17 instructions)
ds = load_dataset("saidutta69/red-pill-drug-discovery-formulation", data_files="red-pill-full_gold_tier.jsonl")
# Load top tier (145 grade A+B instructions)
ds = load_dataset("saidutta69/red-pill-drug-discovery-formulation", data_files="red-pill-full_top_tier.jsonl")
π Dataset at a Glance
| Split | Instructions | Avg Score | Description |
|---|---|---|---|
| Full | 1,047 | 0.541 | Complete dataset across all pillars |
| Gold Tier π₯ | 17 | 0.757 | Elite grade-A instructions |
| Top Tier π₯ | 145 | β | Grade A+B instructions |
π― Quality Distribution
Grade A (β₯0.75): ββββββββββββββββββββ 17 (1.6%)
Grade B (β₯0.60): ββββββββββββββββββββ 128 (12.2%)
Grade C (β₯0.45): ββββββββββββββββββββ 789 (75.3%)
Grade D (β₯0.30): ββββββββββββββββββββ 102 (9.7%)
Grade F (<0.30): ββββββββββββββββββββ 11 (1.1%)
𧬠The Six Pillars
| Pillar | Instructions | Focus |
|---|---|---|
| π§ͺ Drug Discovery | 631 | Target ID, screening, ADMET, molecular properties |
| π Formulation β | 62 | Solubility enhancement, dosage forms, excipients, stability |
| βοΈ Synthesis | 16 | Retrosynthesis, reaction optimization, process chemistry |
| π Regulatory | 109 | FDA guidance, clinical trial design, patent analysis |
| π Integration | 4 | Cross-pillar reasoning, drug repurposing |
| π Literature | 402 | Paper analysis, methodology critique, research synthesis |
π Pillar Details (Click to expand)
π§ͺ Pillar 1: Drug Discovery & Screening
631 instructions
- Target identification & validation
- Virtual screening workflows
- Molecular property prediction
- ADMET profiling & optimization
- Hit-to-lead optimization
- Structure-activity relationships
Sources: ChEMBL 35, DrugBank, PubChem, Expert Knowledge
π Pillar 2: Formulation Development β Key Differentiator
62 instructions
- Solubility enhancement strategies (ASD, nanosizing, cyclodextrins)
- Dosage form design & selection
- Excipient science & compatibility
- Stability prediction & optimization
- Dissolution modeling & IVIVC
- QbD and Design Space concepts
Sources: FDA Orange Book, FormulationAI, Expert Knowledge
βοΈ Pillar 3: Chemical Synthesis
16 instructions
- Retrosynthetic analysis
- Reaction optimization
- Process chemistry & scale-up
- Crystallization & polymorph control
- Green chemistry principles
Sources: ChEMBL, Process Chemistry Knowledge Base
π Pillar 4: Regulatory & Clinical
109 instructions
- FDA guidance interpretation
- Clinical trial design (Phase I-IV)
- Bioequivalence requirements
- Stability testing (ICH Q1A-R2)
- ANDA/NDA filing strategy
Sources: ClinicalTrials.gov, FDA Guidance Documents
π Pillar 5: Cross-cutting Integration
4 instructions
- Drug repurposing scenarios
- Formulation-to-clinic pipelines
- Failure analysis & rescue strategies
- Multi-pillar reasoning exercises
Sources: Integrated Knowledge Base
π Pillar 6: Literature Mining
402 instructions
- Paper summary & analysis
- Methodology critique
- Cross-paper synthesis
- Research trend identification
- Computational method assessment
Sources: PubMed (274 papers), arXiv (21 papers)
π Data Format
Each instruction follows the ChatML format with rich metadata:
{
"messages": [
{
"role": "user",
"content": "I have a BCS Class II compound with solubility 0.5 Β΅g/mL and LogP 4.2..."
},
{
"role": "assistant",
"content": "## Solubility Enhancement Strategy\n\n### Compound Profile:\n- **Solubility:** 0.5 Β΅g/mL (very poor)\n- **LogP:** 4.2 (lipophilic)\n..."
}
],
"metadata": {
"pillar": "formulation",
"domain": "solubility enhancement",
"skill_type": "requires-reasoning",
"source": "formulation_knowledge_base",
"difficulty": "expert"
}
}
π Metadata Fields
| Field | Values | Description |
|---|---|---|
pillar |
discovery, formulation, synthesis, regulatory, literature, integration | Primary domain |
domain |
30+ subdomains | Specific topic area |
skill_type |
requires-knowledge, requires-calculation, requires-reasoning, requires-decision | Cognitive skill tested |
difficulty |
basic, intermediate, advanced, expert | Complexity level |
source |
chembl, pubmed, arxiv, fda_orange_book, formulation_kb, etc. | Data provenance |
π― Quality Scoring System
Every instruction is scored across 8 dimensions:
| Dimension | Weight | What It Measures |
|---|---|---|
| Response Depth | 15% | Length, detail, specific numbers, examples |
| Technical Richness | 15% | Domain terminology density, drug names, concentrations |
| Educational Structure | 12% | Headers, lists, bold terms, step-by-step format |
| Multi-Turn Engagement | 12% | Conversation depth, coherence across turns |
| Practical Applicability | 15% | Actionable advice, real-world context, decision-making |
| Domain Specificity | 13% | Pharmaceutical terminology concentration |
| Reasoning Complexity | 8% | Analytical vs. purely factual content |
| Formulation Depth | 10% | Formulation-specific knowledge (key differentiator) |
π Grade Scale
| Grade | Score | Description |
|---|---|---|
| A π₯ | β₯0.75 | Excellent β deep, structured, technical, actionable |
| B π₯ | β₯0.60 | Good β solid content, some structure |
| C | β₯0.45 | Average β basic content, limited structure |
| D | β₯0.30 | Below average β thin content |
| F | <0.30 | Poor β not useful for fine-tuning |
π¬ Evaluation Benchmarks
The dataset includes 32 evaluation questions across 5 categories:
| Category | Questions | Difficulty |
|---|---|---|
| Knowledge Recall | 5 | Intermediate-Advanced |
| Reasoning | 3 | Expert |
| Formulation Design | 3 | Expert |
| Decision Making | 2 | Expert |
| Molecular Analysis | 2 | Advanced-Expert |
| Gold Tier (auto) | 17 | Expert |
Run Evaluation
# Download benchmark
python -c "
from datasets import load_dataset
ds = load_dataset('saidutta69/red-pill-drug-discovery-formulation', data_files='benchmarks/benchmark_suite.json')
ds['train'].to_json('benchmark_suite.json')
"
# Run evaluation (after generating model responses)
python benchmarks/evaluate.py \
--responses your_model_responses.jsonl \
--benchmark benchmark_suite.json
π Recommended Fine-Tuning Setup
Base Model
Any Heretic-ablated model works:
| Model | Parameters | License |
|---|---|---|
p-e-w/llama-3-8b-it-heretic |
8B | Llama 3 |
p-e-w/mistral-7b-instruct-v0.3-heretic |
7B | Apache 2.0 |
p-e-w/qwen2-7b-instruct-heretic |
7B | Apache 2.0 |
Training Configuration
from transformers import TrainingArguments
from peft import LoraConfig
# LoRA config (recommended for Heretic models)
lora_config = LoraConfig(
r=16,
lora_alpha=32,
target_modules=["q_proj", "v_proj", "k_proj", "o_proj"],
lora_dropout=0.05,
bias="none",
task_type="CAUSAL_LM",
)
# Training args
training_args = TrainingArguments(
output_dir="./red-pill-heretic",
num_train_epochs=3,
per_device_train_batch_size=4,
gradient_accumulation_steps=8,
learning_rate=2e-5,
weight_decay=0.01,
warmup_ratio=0.1,
lr_scheduler_type="cosine",
fp16=True,
logging_steps=10,
save_strategy="epoch",
)
β±οΈ Expected Training Time
| Dataset | Time (Single GPU) |
|---|---|
| Gold tier (17 examples) | ~5 minutes |
| Top tier (145 examples) | ~30 minutes |
| Full dataset (1,047 examples) | ~3 hours |
π Data Sources & Provenance
| Source | Records | Access |
|---|---|---|
| ChEMBL 35 | 498 drugs, 1,000 bioactivities | Open API |
| PubMed | 274 papers | Open API |
| arXiv | 21 papers (filtered from 83) | Open API |
| ClinicalTrials.gov | 109 trial records | Open API |
| FDA Orange Book | Formulation compositions | Open CSV |
| Formulation Knowledge Base | Expert-generated | Synthetic |
| Drug Discovery Knowledge Base | Expert-generated | Synthetic |
β οΈ Disclaimer
This dataset is for research purposes only. It should not be used as the sole basis for pharmaceutical decisions. Always consult qualified professionals for drug development activities.
The knowledge contained in this dataset reflects publicly available information and expert opinions. It may not represent the current state of the art in all areas.
π Citation
@dataset{red_pill_2025,
title={RED-PILL: Research Enhanced Dataset for Pharmaceutical Innovation in Learning and Language},
author={Saidutta Abhishek Dash},
year={2025},
publisher={Hugging Face},
url={https://huggingface.co/datasets/saidutta69/red-pill-drug-discovery-formulation},
description={Instruction-tuning dataset for drug discovery and formulation development.}
}
π License
Apache License 2.0