Ameya Daigavane

Just a plain, simple and elegant one-page theme for research/academia.

Learning Molecular Force Fields with e3nn

Proxy for querying the Materials Project with OPTIMADE

Bayesian learning and inference with WebPPL.

Scripts for finetuning and inference of the SmilesT5 model

ORB forcefield models from Orbital Materials

PyTorch Implementations of Popular Deep Generative Models.

RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion

Ameya's fork of EDM

The official JAX implementation of Action-Angle Networks!

Python Implementation of 'Spectral Clustering in Heterogeneous Information Networks'.

Official repository for the Boltz-1 biomolecular interaction model

🚂 Python API for Emma's Markov Model Algorithms 🚂 (fixed for numpy 2.0)

Probabilistic Graphical Models

Genetic algorithm packages for optimization in Python.

No description provided.

Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more

An example of how to emulate runtime polymorphism in C via function-pointers.

Reproducing the results of 'Spectral Bias and Task-Model Alignment Explain Generalization in Kernel Regression and Infinitely Wide Neural Networks'

No description provided.

Graph algorithms visualized - with d3.js

Web performance measurement toolkit

Visualization of Time-Series with the Matrix Profile and Multidimensional Scaling.

Library for computing, inverting, and visualizing spectra of local atomic environments

Bare-bones implementations of some generative models in Jax: diffusion, normalizing flows, consistency models, flow matching, (beta)-VAEs.

🧬Streamlit Component for creating Speck molecular structures within Streamlit Web app🚀.

A library for graph deep learning research

Google Research

Flax is a neural network library for JAX that is designed for flexibility.

SNAP Python code, SWIG related files