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The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery 🧑🔬
An algorithm based in the Generalized Dual Method to create quasiperiodic tiles of arbitrary symmetry centered in an arbitrary point in a 2D space
Distance-based Analysis of DAta-manifolds in python
Quick Uncertainty and Entropy via STructural Similarity
Official implementation of CoNSAL for analytical Lyapunov function discovery
Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
Uncertainty quantification with PyTorch
Build and share delightful machine learning apps, all in Python. 🌟 Star to support our work!
List of Molecular and Material design using Generative AI and Deep Learning
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
An easily integrable Cholesky solver on CPU and GPU
AI-powered ab initio biomolecular dynamics simulation
Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used materials science datasets, and built on top of PyTorch Lig…
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …
H2Opus: a performance-oriented library for hierarchical matrices
Complex Analysis: A Visual and Interactive Introduction
A Julia library for hierarchical matrices
Simple, secure & standards compliant web server for the most demanding of applications
Implementation of the EMUS algorithm for recombining multiple biased data sources in python
Chrome Extension to Summarize or Chat with Web Pages/Local Documents Using locally running LLMs. Keep all of your data and conversations private. 🔐
Estimating Noise Correlations in Neural Populations with Wishart Processes