薛定谔 | 先导化合物优化与相互作用可视化

告别手动配体格点！用薛定谔Covalent Docking做共价对接的保姆级避坑指南

本文详细介绍了如何使用薛定谔Covalent Docking模块进行共价对接，避免手动配体格点生成的繁琐步骤。文章重点解析了共价对接与常规对接的核心差异，提供了反应残基定位、反应类型配置和对接模式优化的实用技巧，帮助研究人员高效完成药物发现中的共价抑制剂设计。

自优化AI、类脑芯片与科学AI的工程融合实践

自优化AI系统指具备在线反馈、动态校准能力的智能体，其核心在于将模型演化嵌入物理约束与业务代价框架；类脑芯片代表以脉冲神经网络（SNN）为范式、事件驱动、超低功耗的新型AI硬件载体；科学AI则强调将第一性原理（如偏微分方程、守恒律）深度融入建模过程，实现数据驱动与机理驱动的统一。三者融合正突破传统AI在实时性、可靠性与可解释性上的瓶颈，已在风电预测、电池热管理、药物分子生成等工业与科研场景落地。本文聚焦真实产线中的协同架构设计、安全闭环构建与跨层优化方法，提供面向边缘部署、长周期运行与物理世界验证的工程化路

量子机器学习实战：从变分算法到分子模拟的工程落地

量子机器学习（QML）并非经典AI的加速替代，而是通过量子态编码、参数化量子电路（PQC）与变分优化，重构高维数据建模与物理系统求解的认知原语。其核心原理在于利用量子叠加与纠缠，在指数级希尔伯特空间中高效表征分子构象、金融路径或优化问题的本征结构；技术价值体现在突破经典算力导致的数据维度墙、病态优化景观与非局域概率建模瓶颈；典型应用场景包括量子化学基态能量预测、衍生品蒙特卡洛定价及组合优化；本文聚焦可复现的工程实践，深度融合变分量子算法与量子数据编码，为AI工程师和量子研究者提供跨范式协同的落地路径。

Maestro 薛定谔软件简单分子对接案例

#参考：Maestro 薛定谔软件使用：Maestro 薛定谔对接：sid=287811。

2025再升级：医疗数智立体化体系V2.0架构简介

医疗数智立体化体系2.0融合量子物理计算、AI、高性能云计算与机器人自动化技术，构建覆盖医疗研发全链条的智能闭环系统。该体系通过量子模拟揭示生物分子机制，AI挖掘多组学数据，云端算力支撑大规模计算，机器人实现自动化实验验证，形成"计算-预测-执行-优化"的研发范式。其核心价值在于提升药物发现效率50%以上，降低实验成本30%，为精准医疗提供原子级精度到临床转化的端到端解决方案。当前面临量子计算成熟度、跨学科人才和数据治理等挑战，但代表了医疗AI未来的颠覆性方向。

【Unity】Pico VR 开发实战：从环境搭建到交互实现

本文是一份详细的Unity Pico VR开发实战指南，涵盖从环境搭建到核心交互实现的全流程。详细讲解了如何集成Pico Unity Integration SDK与XR Interaction Toolkit，配置开发环境，并重点解析了手柄输入处理、射线交互以及VR UI操作三大核心模块的代码实现与优化技巧，帮助开发者快速上手Pico VR应用开发。

STM32H743+YT8512C以太网通信实战：CubeMX与LWIP配置详解

本文详细解析了基于STM32H743微控制器与YT8512C PHY芯片的以太网通信实战方案。通过CubeMX工具进行RMII接口、MPU、时钟树等关键硬件配置，并重点阐述了如何修改LWIP协议栈驱动代码以适配YT8512C芯片，解决了LAN8742驱动不兼容的问题。文章提供了从工程创建、代码适配到调试验证的完整步骤，帮助开发者快速实现稳定可靠的嵌入式网络连接。

Xilinx ZYNQ 7000学习笔记二（FSBL代码分析启动-汇编代码）

Xilinx ZYNQ 7000学习笔记

22AP10 SS524 平替 海思HI3521DV200 可提供开发资料

入，突破了数字接口的视频输入性能瓶颈，提供两倍于前代产品的视频输入能力。视频编解码引擎、视频图像处理的算法效果及性能得到了进一步提升。芯片为客户产品提供了高性能、优异图像质量。推理引擎，支持多种智能算法应用。合丰富的外围设备及高速接口，该。解决方案，广泛用于模拟高清。产品应用开发的新一代专。四核处理器和性能强大的。

飞牛fnNAS个人小账本导入微信账单

本文介绍了将微信支付账单导入ezBookkeeping个人记账系统的详细方法。首先通过微信申请导出账单文件，接收后需进行Excel预处理：删除前导行、添加账户和分类列、整理金额格式等。在ezBookkeeping中需预先设置"微信"分类和账户。导入时需注意列映射关系，包括交易时间、账户名称等关键字段的对应设置。文章还提到处理交易标签、格式转换等细节问题，并建议避免使用"修改余额"功能。该方法同样适用于支付宝账单导入，解决了直接导入可能出现的格式不兼容问题。

基于深度学习DNN LSTM网络的光伏发电量预测 完整代码数据 可直接运行

基于深度学习DNN LSTM网络的光伏发电量预测 完整代码数据 可直接运行

《R 语言卡方检验全解析：手写代码实现与详细步骤》卡方检验

卡方检验（Chi-Square Test）是一种常用的统计方法，主要用于检验分类变量之间的独立性或拟合优度。在医学、社会科学等领域中，卡方检验常用于分析两个或多个分类变量之间的关系。以下是卡方检验的全面解析，包括实现代码和手写公式。χ2∑Ei​Oi​−Ei​2​Oi​Ei​dfr−1c−1rcdfk−1k如果卡方统计量大于临界值，或 p 值小于显著性水平（如 0.05），则拒绝原假设。

深度学习工具包 DeepLearningToolbox

深度学习工具包Deprecation notice.-----This toolbox is outdated and no longer maintained.There are much better tools available for deep learning than this toolbox, e.g. [Theano](http://deeplearning.net/software/theano/), [torch](http://torch.ch/) or [tensorflow](http://www.tensorflow.org/)I would suggest you use one of the tools mentioned above rather than use this toolbox.Best, Rasmus.DeepLearnToolbox================A Matlab toolbox for Deep Learning.Deep Learning is a new subfield of machine learning that focuses on learning deep hierarchical models of data.It is inspired by the human brain's apparent deep (layered, hierarchical) architecture.A good overview of the theory of Deep Learning theory is[Learning Deep Architectures for AI](http://www.iro.umontreal.ca/~bengioy/papers/ftml_book.pdf)For a more informal introduction, see the following videos by Geoffrey Hinton and Andrew Ng.* [The Next Generation of Neural Networks](http://www.youtube.com/watch?v=AyzOUbkUf3M) (Hinton, 2007)* [Recent Developments in Deep Learning](http://www.youtube.com/watch?v=VdIURAu1-aU) (Hinton, 2010)* [Unsupervised Feature Learning and Deep Learning](http://www.youtube.com/watch?v=ZmNOAtZIgIk) (Ng, 2011)If you use this toolbox in your research please cite [Prediction as a candidate for learning deep hierarchical models of data](http://www2.imm.dtu.dk/pubdb/views/publication_details.php?id=6284)```@MASTERSTHESIS\{IMM2012-06284, author = "R. B. Palm", title = "Prediction as a candidate for learning deep hierarchical models of data", year = "2012",}```Contact: rasmusbergpalm at gmail dot comDirectories included in the toolbox-----------------------------------`NN/` - A library for Feedforward Backpropagation Neural Networks`CNN/` - A library for Convolutional Neural Networks`DBN/` - A library for Deep Belief Networks`SAE/` - A library for Stacked Auto-Encoders`CAE/` - A library for Convolutional Auto-Encoders`util/` - Utility functions used by the libraries`data/` - Data used by the examples`tests/` - unit tests to verify toolbox is workingFor references on each library check REFS.mdSetup-----1. Download.2. addpath(genpath('DeepLearnToolbox'));Example: Deep Belief Network---------------------```matlabfunction test_example_DBNload mnist_uint8;train_x = double(train_x) / 255;test_x = double(test_x) / 255;train_y = double(train_y);test_y = double(test_y);%% ex1 train a 100 hidden unit RBM and visualize its weightsrand('state',0)dbn.sizes = [100];opts.numepochs = 1;opts.batchsize = 100;opts.momentum = 0;opts.alpha = 1;dbn = dbnsetup(dbn, train_x, opts);dbn = dbntrain(dbn, train_x, opts);figure; visualize(dbn.rbm{1}.W'); % Visualize the RBM weights%% ex2 train a 100-100 hidden unit DBN and use its weights to initialize a NNrand('state',0)%train dbndbn.sizes = [100 100];opts.numepochs = 1;opts.batchsize = 100;opts.momentum = 0;opts.alpha = 1;dbn = dbnsetup(dbn, train_x, opts);dbn = dbntrain(dbn, train_x, opts);%unfold dbn to nnnn = dbnunfoldtonn(dbn, 10);nn.activation_function = 'sigm';%train nnopts.numepochs = 1;opts.batchsize = 100;nn = nntrain(nn, train_x, train_y, opts);[er, bad] = nntest(nn, test_x, test_y);assert(er < 0.10, 'Too big error');```Example: Stacked Auto-Encoders---------------------```matlabfunction test_example_SAEload mnist_uint8;train_x = double(train_x)/255;test_x = double(test_x)/255;train_y = double(train_y);test_y = double(test_y);%% ex1 train a 100 hidden unit SDAE and use it to initialize a FFNN% Setup and train a stacked denoising autoencoder (SDAE)rand('state',0)sae = saesetup([784 100]);sae.ae{1}.activation_function = 'sigm';sae.ae{1}.learningRate = 1;sae.ae{1}.inputZeroMaskedFraction = 0.5;opts.numepochs = 1;opts.batchsize = 100;sae = saetrain(sae, train_x, opts);visualize(sae.ae{1}.W{1}(:,2:end)')% Use the SDAE to initialize a FFNNnn = nnsetup([784 100 10]);nn.activation_function = 'sigm';nn.learningRate = 1;nn.W{1} = sae.ae{1}.W{1};% Train the FFNNopts.numepochs = 1;opts.batchsize = 100;nn = nntrain(nn, train_x, train_y, opts);[er, bad] = nntest(nn, test_x, test_y);assert(er < 0.16, 'Too big error');```Example: Convolutional Neural Nets---------------------```matlabfunction test_example_CNNload mnist_uint8;train_x = double(reshape(train_x',28,28,60000))/255;test_x = double(reshape(test_x',28,28,10000))/255;train_y = double(train_y');test_y = double(test_y');%% ex1 Train a 6c-2s-12c-2s Convolutional neural network %will run 1 epoch in about 200 second and get around 11% error. %With 100 epochs you'll get around 1.2% errorrand('state',0)cnn.layers = { struct('type', 'i') %input layer struct('type', 'c', 'outputmaps', 6, 'kernelsize', 5) %convolution layer struct('type', 's', 'scale', 2) %sub sampling layer struct('type', 'c', 'outputmaps', 12, 'kernelsize', 5) %convolution layer struct('type', 's', 'scale', 2) %subsampling layer};cnn = cnnsetup(cnn, train_x, train_y);opts.alpha = 1;opts.batchsize = 50;opts.numepochs = 1;cnn = cnntrain(cnn, train_x, train_y, opts);[er, bad] = cnntest(cnn, test_x, test_y);%plot mean squared errorfigure; plot(cnn.rL);assert(er<0.12, 'Too big error');```Example: Neural Networks---------------------```matlabfunction test_example_NNload mnist_uint8;train_x = double(train_x) / 255;test_x = double(test_x) / 255;train_y = double(train_y);test_y = double(test_y);% normalize[train_x, mu, sigma] = zscore(train_x);test_x = normalize(test_x, mu, sigma);%% ex1 vanilla neural netrand('state',0)nn = nnsetup([784 100 10]);opts.numepochs = 1; % Number of full sweeps through dataopts.batchsize = 100; % Take a mean gradient step over this many samples[nn, L] = nntrain(nn, train_x, train_y, opts);[er, bad] = nntest(nn, test_x, test_y);assert(er < 0.08, 'Too big error');%% ex2 neural net with L2 weight decayrand('state',0)nn = nnsetup([784 100 10]);nn.weightPenaltyL2 = 1e-4; % L2 weight decayopts.numepochs = 1; % Number of full sweeps through dataopts.batchsize = 100; % Take a mean gradient step over this many samplesnn = nntrain(nn, train_x, train_y, opts);[er, bad] = nntest(nn, test_x, test_y);assert(er < 0.1, 'Too big error');%% ex3 neural net with dropoutrand('state',0)nn = nnsetup([784 100 10]);nn.dropoutFraction = 0.5; % Dropout fraction opts.numepochs = 1; % Number of full sweeps through dataopts.batchsize = 100; % Take a mean gradient step over this many samplesnn = nntrain(nn, train_x, train_y, opts);[er, bad] = nntest(nn, test_x, test_y);assert(er < 0.1, 'Too big error');%% ex4 neural net with sigmoid activation functionrand('state',0)nn = nnsetup([784 100 10]);nn.activation_function = 'sigm'; % Sigmoid activation functionnn.learningRate = 1; % Sigm require a lower learning rateopts.numepochs = 1; % Number of full sweeps through dataopts.batchsize = 100; % Take a mean gradient step over this many samplesnn = nntrain(nn, train_x, train_y, opts);[er, bad] = nntest(nn, test_x, test_y);assert(er < 0.1, 'Too big error');%% ex5 plotting functionalityrand('state',0)nn = nnsetup([784 20 10]);opts.numepochs = 5; % Number of full sweeps through datann.output = 'softmax'; % use softmax outputopts.batchsize = 1000; % Take a mean gradient step over this many samplesopts.plot = 1; % enable plottingnn = nntrain(nn, train_x, train_y, opts);[er, bad] = nntest(nn, test_x, test_y);assert(er < 0.1, 'Too big error');%% ex6 neural net with sigmoid activation and plotting of validation and training error% split training data into training and validation datavx = train_x(1:10000,:);tx = train_x(10001:end,:);vy = train_y(1:10000,:);ty = train_y(10001:end,:);rand('state',0)nn = nnsetup([784 20 10]); nn.output = 'softmax'; % use softmax outputopts.numepochs = 5; % Number of full sweeps through dataopts.batchsize = 1000; % Take a mean gradient step over this many samplesopts.plot = 1; % enable plottingnn = nntrain(nn, tx, ty, opts, vx, vy); % nntrain takes validation set as last two arguments (optionally)[er, bad] = nntest(nn, test_x, test_y);assert(er < 0.1, 'Too big error');```[](https://bitdeli.com/free "Bitdeli Badge")

lwip-2.0.3

lwip是瑞典计算机科学院(SICS)的Adam Dunkels 开发的一个小型开源的TCP/IP协议栈。实现的重点是在保持TCP协议主要功能的基础上减少对RAM 的占用。

IEM模型，地表粗糙度模拟

利用微波反演土壤水分时候，利用IEM模型可以实现对随机地表的模拟

复分析 阿尔福斯(Ahlfors) 第三版答案 英文

答案分为十章，有部分习题没有答案，全英文复分析阿尔福斯(Ahlfors) 第三版答案