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ChemGraph Public
Forked from argonne-lcf/ChemGraphAgentic framework for computational chemistry and materials science workflows
Jupyter Notebook Apache License 2.0 UpdatedSep 30, 2025 -
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ChangwenXu98.github.io Public
Changwen Xu Personal Webpage
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ezpz Public
Forked from saforem2/ezpzTrain across all your devices, ezpz 🍋
Python MIT License UpdatedJun 18, 2025 -
flowmm Public
Forked from facebookresearch/flowmmCode for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Language Models as Base Distributions"
Python Other UpdatedOct 29, 2024 -
mdgen Public
Forked from bjing2016/mdgenGenerative modeling of molecular dynamics trajectories
Python MIT License UpdatedOct 10, 2024 -
rum Public
Forked from yuanqing-wang/rumRandom walk unit with memory
Python MIT License UpdatedSep 26, 2024 -
matbench Public
Forked from materialsproject/matbenchMatbench: Benchmarks for materials science property prediction
Python MIT License UpdatedAug 20, 2024 -
TransPolymer Public
Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch
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group-website Public
Forked from BattModels/BattModels.github.ioGroup website! Thanks UWSAMPA for template.
TeX Other UpdatedOct 7, 2023
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