Search Results for "kinetic monte carlo"
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Showing 208 open source projects for "kinetic monte carlo"
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QuasiMonteCarlo.jl
Lightweight and easy generation of quasi-Monte Carlo sequences
Lightweight and easy generation of quasi-Monte Carlo sequences with a ton of different methods on one API for easy parameter exploration in scientific machine learning (SciML). This is a lightweight package for generating Quasi-Monte Carlo (QMC) samples using various different methods. -
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EMC: Enhanced Monte Carlo; A multi-purpose modular and easy extendable solution to molecular and mesoscale simulations
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Monte Carlo eXtreme (MCX)
Physically accurate and validated GPU ray-tracer
MCX is a GPU-accelerated, general-purpose, physically-accurate and feature-rich 3-D light transport simulator. It is one of the fastest simulators because it can use tens of thousands of GPU threads to simulate photons in parallel. -
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Mctx
Monte Carlo tree search in JAX
mctx is a Monte Carlo Tree Search (MCTS) library developed by Google DeepMind for reinforcement learning research. It enables efficient and flexible implementation of MCTS algorithms, including those used in AlphaZero and MuZero. -
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DynamicHMC
Implementation of robust dynamic Hamiltonian Monte Carlo methods
Implementation of robust dynamic Hamiltonian Monte Carlo methods in Julia. In contrast to frameworks that utilize a directed acyclic graph to build a posterior for a Bayesian model from small components, this package requires that you code a log-density function of the posterior in Julia. Derivatives can be provided manually, or using automatic differentiation. Consequently, this package requires that the user is comfortable with the basics of the theory of Bayesian inference, to the extent of coding a (log) posterior density in Julia. ... -
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HOOMD-blue
Molecular dynamics and Monte Carlo soft matter simulation on GPUs
HOOMD-blue is a Python-driven particle simulation engine for molecular dynamics and hard-particle Monte Carlo simulations. It was designed from the ground up for GPU acceleration, with a high-performance C++ and CUDA backend. The software is especially useful for nano-scale, colloidal, polymer, soft matter, and materials simulations. Its Python interface lets users build simulation and analysis workflows using familiar scientific Python tools. -
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ESPResSo
The ESPResSo package
ESPResSo is a simulation package for molecular dynamics and Monte Carlo simulations of soft matter systems. It is designed for coarse-grained and bead-spring models used in physics, chemistry, and molecular biology. The software can model systems such as polymers, colloids, liquid crystals, ferrofluids, DNA, lipid membranes, and other complex fluids. It includes a broad range of interaction potentials and algorithms for electrostatics, hydrodynamics, and coupled particle-field behavior. ... -
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Prophylactic-replacement-of-voice-prosthesis---Suppl-Monte-Carlo-simulations
Monte-Carlo simulations for: Prediction of prophylactic replacement of voice prosthesis in laryngectomized patients – A retrospective cohort study
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Gen.jl
A general-purpose probabilistic programming system
...Gen’s inference library gives users building blocks for writing efficient probabilistic inference algorithms that are tailored to their models, while automating the tricky math and the low-level implementation details. Gen helps users write hybrid algorithms that combine neural networks, variational inference, sequential Monte Carlo samplers, and Markov chain Monte Carlo. Gen features an easy-to-use modeling language for writing down generative models, inference models, variational families, and proposal distributions using ordinary code. But it also lets users migrate parts of their model or inference algorithm to specialized modeling languages for which it can generate especially fast code. ... -
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TensorFlow Probability
Probabilistic reasoning and statistical analysis in TensorFlow
...TFP is open source and available on GitHub. Tools to build deep probabilistic models, including probabilistic layers and a `JointDistribution` abstraction. Variational inference and Markov chain Monte Carlo. A wide selection of probability distributions and bijectors. Optimizers such as Nelder-Mead, BFGS, and SGLD. -
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Integrals.jl
A common interface for quadrature and numerical integration
Integrals.jl is an instantiation of the SciML common IntegralProblem interface for the common numerical integration packages of Julia, including both those based upon quadrature as well as Monte-Carlo approaches. By using Integrals.jl, you get a single predictable interface where many of the arguments are standardized throughout the various integrator libraries. This can be useful for benchmarking or for library implementations since libraries that internally use a quadrature can easily accept an integration method as an argument. -
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Bayesian Statistics
This repository holds slides and code for a full Bayesian statistics
This repository holds slides and code for a full Bayesian statistics graduate course. Bayesian statistics is an approach to inferential statistics based on Bayes' theorem, where available knowledge about parameters in a statistical model is updated with the information in observed data. The background knowledge is expressed as a prior distribution and combined with observational data in the form of a likelihood function to determine the posterior distribution. The posterior can also be used... -
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Kimi k1.5
Scaling Reinforcement Learning with LLMs
...By using techniques like partial rollouts to improve training efficiency and applying sophisticated policy optimization methods, the developers demonstrate that strong ability can emerge without relying on complex solutions like Monte Carlo tree search or value functions. Kimi-k1.5 is trained jointly on text and vision data, giving it true multimodal reasoning capabilities where it can interpret and generate content across modalities in a unified way. -
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