Focus on prompting and generating

Scalable neural net training via automatic normalization in the modular norm.

TUI for the Slurm Workload Manager

My setup for writing LaTeX documents on Windows using WSL, VSCode & TeXLive

Code used by the "Clifford Group Equivariant Neural Networks" paper.

PhD thesis template with title page according to the University of Amsterdam.

Code for “FlowMM Generating Materials with Riemannian Flow Matching”.

Jupyter Notebooks as Markdown Documents, Julia, Python or R scripts

Generative materials benchmarking metrics, inspired by guacamol and CDVAE.

Comfortable parallel TQDM using concurrent.futures

The Modified Differential Multiplier Method (MDMM) for PyTorch

Stainless neural networks in JAX

[NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"

Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding Site Design"

Offline documentation built from official PyTorch release

Line-by-line profiling for Python

TorchCFM: a Conditional Flow Matching library

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

The Wren sits on its Roost in the Aviary.

An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]

A curated list of awesome astrophysical simulation codes

Chat with your notes & see links to related content with AI embeddings. Use local models or 100+ via APIs like Claude, Gemini, ChatGPT & Llama 3

Implementation of a PyTorch Mutual Information Estimation Toolkit

Library for normalizing flows and neural flows.

Master the command line, in one page

Code for the paper "Towards Reliable Simulation-Based Inference with Balanced Neural Ratio Estimation".

Website