Code for the tutorial/review paper for RL-based-fine-tuniing. In this code, we especially focus on the design of biological sequences like DNA (enhancers) and RNA (UTRs) design.

NVIDIA Math Libraries for the Python Ecosystem

Domain adaptation toolbox compatible with scikit-learn and pytorch

Library for Jacobian descent with PyTorch. It enables optimization of neural networks with multiple losses (e.g. multi-task learning).

A high-level Python library for Quantum Natural Language Processing

The source code of "Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics"

Surrogate Modeling Toolbox

List of Geometric GNNs for 3D atomic systems

Generating and Imputing Tabular Data via Diffusion and Flow XGBoost Models

A mini-library for training consistency models.

Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)

A package for statistically rigorous scientific discovery using machine learning. Implements prediction-powered inference.

Official PyTorch implementation for paper: Quasi-Monte Carlo for 3D Sliced Wasserstein

Open-source framework for uncertainty and deep learning models in PyTorch 🌱

🧬 Generative modeling of regulatory DNA sequences with diffusion probabilistic models 💨

Google Drive Public File Downloader when Curl/Wget Fails

Implementation code for the paper "Aggregating Residue-Level Protein Language Model Embeddings with Optimal Transport"

An SKLearn-style toolbox for estimating and analyzing models, distributions, and functions with context-specific parameters.

Gradient-informed particle MCMC methods

Quality Diversity through Human Feedback: Towards Open-Ended Diversity-Driven Optimization (ICML 2024)

Protein Structure Transformer (PST): Endowing pretrained protein language models with structural knowledge

Human in the Loop Conformal Prediction

Experiments and content for the hyperbolic barnes-hut tSNE paper.

Bayesian model for RNA velocity estimation of periodic manifolds

Codebase for Inference-Time Policy Adapters