Showing 4 open source projects for "dynamics"

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  • 1
    FairChem

    FairChem

    FAIR Chemistry's library of machine learning methods for chemistry

    ...Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations, molecular dynamics, spin-state energetics, and surface catalysis workflows with the same pretrained network by switching a task flag. Tasks span heterogeneous domains—catalysis (OC20-style), inorganic materials (OMat), molecules (OMol), MOFs (ODAC), and molecular crystals (OMC)—allowing one model family to serve many simulations. The README provides quick paths for pulling models (e.g., via Hugging Face access), then running energy/force predictions on GPU or CPU.
    Downloads: 2 This Week
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  • 2
    Transformers4Rec

    Transformers4Rec

    Transformers4Rec is a flexible and efficient library

    ...Transformers4Rec makes state-of-the-art transformer architectures available for RecSys researchers and industry practitioners. Traditional recommendation algorithms usually ignore the temporal dynamics and the sequence of interactions when trying to model user behavior. Generally, the next user interaction is related to the sequence of the user's previous choices. In some cases, it might be a repeated purchase or song play. User interests can also suffer from interest drift because preferences can change over time. Those challenges are addressed by the sequential recommendation task.
    Downloads: 0 This Week
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  • 3
    Neural Tangents

    Neural Tangents

    Fast and Easy Infinite Neural Networks in Python

    ...It lets researchers define architectures from familiar building blocks—convolutions, pooling, residual connections, and nonlinearities—and obtain not only the finite network but also the corresponding Gaussian Process (GP) kernel of its infinite-width limit. With a single specification, you can compute NNGP and NTK kernels, perform exact GP inference, and study training dynamics analytically for infinitely wide networks. The library closely mirrors JAX’s stax API while extending it to return a kernel_fn alongside init_fn and apply_fn, enabling drop-in workflows for kernel computation. Kernel evaluation is highly optimized for speed and memory, and computations can be automatically distributed across accelerators with near-linear scaling.
    Downloads: 0 This Week
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  • 4
    TF Quant Finance

    TF Quant Finance

    High-performance TensorFlow library for quantitative finance

    ...It includes Bazel builds, tests, and example notebooks to accelerate learning and adoption in real workflows. With hardware acceleration and differentiable models, it enables modern techniques like gradient-based calibration and end-to-end learning of market dynamics.
    Downloads: 0 This Week
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