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⚡ TabPFN: Foundation Model for Tabular Data ⚡
Database of optical constants
MCP, CLI, Skills for searching and downloading academic papers from multiple sources like arXiv, PubMed, bioRxiv, etc.
AI-Driven Scientific and Algorithmic Discovery
https://nomad-hzb.github.io/nomad-baseclasses/
A curated list of awesome skills, hooks, slash-commands, agent orchestrators, applications, and plugins for Claude Code by Anthropic
This is a code and data repository to conduct Bayesian Optimization with knowledge constraints for manufacturing process of perovskite solar cells
Perovskite solar cells degradation data clustering using self-organizing map (SOM)
MatterVial is a featurizer tool designed for materials science, leveraging both graph-neural networks (GNNs) and traditional feature engineering to extract valuable chemical information from materi…
Library for reading and writing chemistry files
A NOMAD plugin containing the schema for the Perovskite Solar Cell Database.
PERLA (The PERovskite photovoltaics Living Archive)
Generation of diagrams like flowcharts or sequence diagrams from text in a similar manner as markdown
Claude Code is an agentic coding tool that lives in your terminal, understands your codebase, and helps you code faster by executing routine tasks, explaining complex code, and handling git workflo…
Collection of Tutorials on Machine Learning Interatomic Potentials
The first diffusion model for inorganic materials that explicitly incorporates electronic structure information
A RL framework for Crystal Structure Generation using GRPO
Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.
Training Neural Network potentials through customizable routines in JAX.
Flow matching for accelerated simulation of atomic transport
🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/forum?id=SAT0KPA5UO