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Jupyter Notebook 3 Updated Nov 3, 2025

Selection language for RDKit

Jupyter Notebook 17 1 Updated Mar 20, 2026

The design language that makes your AI harness better at design.

JavaScript 59,147 3,617 Updated Aug 14, 2026

A lightweight reproduction of DeepSeek-R1-Zero with indepth analysis of self-reflection behavior.

Python 253 9 Updated Apr 15, 2025

Minimal reproduction of DeepSeek R1-Zero

Python 13,225 1,578 Updated Feb 27, 2026

Practical Cheminformatics Tutorials

Jupyter Notebook 1,293 225 Updated May 2, 2026

ai_in_chemistry_workshop

Jupyter Notebook 80 18 Updated Sep 16, 2024

A Collection on Large Language Models for Optimization

388 41 Updated Mar 31, 2026

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

Python 130 15 Updated Jun 5, 2024

Continual Learning papers list, curated by ContinualAI

HTML 730 62 Updated Apr 22, 2024

JAX implementation of RL algorithms and vectorized environments

Jupyter Notebook 50 2 Updated Dec 26, 2023

Papers about explainability of GNNs

816 75 Updated Jun 3, 2026

Implementations of robust Dual Curriculum Design (DCD) algorithms for unsupervised environment design.

Python 141 35 Updated Aug 20, 2024

🏛️A research-friendly codebase for fast experimentation of single-agent reinforcement learning in JAX • End-to-End JAX RL

Python 418 48 Updated Mar 18, 2026

Long short-term memory Spiking Neural Networks

Python 113 25 Updated Feb 25, 2020

Official repository for the paper "Improving Graph Neural Network Expressivity via Subgraph Isomorphism Counting" (TPAMI'22) https://arxiv.org/abs/2006.09252

Python 105 24 Updated Jun 15, 2021

Platform for designing and evaluating Graph Neural Networks (GNN)

Python 1,903 199 Updated Nov 10, 2023

Code and dataset to test empirically the expressive power of graph pooling operators presented as presented at NeurIPS 2023

Python 35 Updated Nov 8, 2023

A collection of papers studying/improving the expressiveness of graph neural networks (GNNs)

124 6 Updated Nov 15, 2023

Modularized Implementation of Deep RL Algorithms in PyTorch

Python 3,444 698 Updated Apr 16, 2024

A Jax/Stax implementation of the general meta learning paper: Oh, J., Hessel, M., Czarnecki, W.M., Xu, Z., van Hasselt, H.P., Singh, S. and Silver, D., 2020. Discovering reinforcement learning algo…

Python 23 6 Updated Dec 22, 2020

Tabular methods for reinforcement learning

Python 39 9 Updated Jul 3, 2020

Code for Discovered Policy Optimisation (NeurIPS 2022)

Python 12 1 Updated Jun 15, 2023

The code for experiments conducted to verify the correctness of mirror learning.

Python 11 2 Updated Jun 3, 2022

Pytorch implementation of set transformer

Jupyter Notebook 682 116 Updated Feb 11, 2020

Autoregressive transformer in JAX from scratch

Python 23 6 Updated Jan 28, 2022

A playbook for systematically maximizing the performance of deep learning models.

30,280 2,420 Updated Jun 18, 2024

tensorboard for pytorch (and chainer, mxnet, numpy, ...)

Python 7,996 851 Updated Jul 14, 2026

ManimML is a project focused on providing animations and visualizations of common machine learning concepts with the Manim Community Library.

Python 3,475 215 Updated Jun 22, 2024
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