tufts-ml/G2PT
Graph generative pre-trained transformer
This framework helps chemists and materials scientists design novel molecules by generating new molecular structures from scratch. You provide a starting point, and it outputs a diverse set of valid molecular graphs. It's ideal for researchers in drug discovery or materials science seeking to explore chemical space.
No commits in the last 6 months.
Use this if you need to generate new molecular structures for drug discovery or materials science applications.
Not ideal if you need to analyze or predict properties of existing molecules, rather than generate new ones.
Stars
19
Forks
2
Language
Python
License
MIT
Category
Last pushed
Jun 03, 2025
Commits (30d)
0
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/llm-tools/tufts-ml/G2PT"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
Higher-rated alternatives
Nixtla/nixtla
TimeGPT-1: production ready pre-trained Time Series Foundation Model for forecasting and...
andrewdalpino/NoPE-GPT
A GPT-style small language model (SLM) with no positional embeddings (NoPE).
sigdelsanjog/gptmed
pip install gptmed
akanyaani/gpt-2-tensorflow2.0
OpenAI GPT2 pre-training and sequence prediction implementation in Tensorflow 2.0
samkamau81/FinGPT_
FinGPT is an AI language model designed to understand and generate financial content. Built upon...