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ALCHEMI Toolkit is a developer toolkit for accelerating training and inference for AI in chemistry and material science.
UQpy (Uncertainty Quantification with python) is a general purpose Python toolbox for modeling uncertainty in physical and mathematical systems.
An open-source multi-modal toolbox for extracting structured synthesis procedures and performance data from materials science literature at scale.
IvoryOS – Auto-abstraction & runtime for self-driving labs. Turns Python scripts into a visual workflow builder, execution engine, and optimization platform. Designed for scientists and developers.
Python utility to convert PyTorch model weights from '.bin' to '.safetensors' format.
✨ [ACL 2025] Incorporating Domain Knowledge into Materials Tokenization
Fine-tuning a VLM(Qwen2-VL-2B-Instruct) on bridge-damage datasets, and then inferencing it.
Get your documents ready for gen AI
UQLM: Uncertainty Quantification for Language Models, is a Python package for UQ-based LLM hallucination detection
This repository contains the code and data associated with the research paper: "Material discovery of secondary and natural cementitious precursors."
Python script to plot periodic trends as a heat map over the periodic table of elements
Medical RAG QA App using Meditron 7B LLM, Qdrant Vector Database, and PubMedBERT Embedding Model.
This repository contains the implementation for our EMNLP 2023 paper: HoneyBee: Progressive Instruction Finetuning of Large Language Models for Materials Science
ChemDataWriter is a transformer-based library for automatically generating research books in the chemistry area.
neural networks to learn Koopman eigenfunctions
Welcome to the Llama Cookbook! This is your go to guide for Building with Llama: Getting started with Inference, Fine-Tuning, RAG. We also show you how to solve end to end problems using Llama mode…
Collection of works in my PhD at Virginia Tech, mostly focused on computer vision and machine learning applications in structural inspection and structural health monitoring.
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Public release of data and code for materials synthesis generation