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<h2 class="post-title"><a href="https://leonis.cc/sui-sui-nian/2023-05-13-summary-doi.org/10.1186/s13321-023-00713-z.html" rel="bookmark" title="Permalink to 文献总结｜对编码器-解码器模型学习过程中化学结构识别的研究">文献总结｜对编码器-解码器模型学习过程中化学结构识别的研究</a>
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<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 5月13日">2023年 5月13日</time>
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<a class="post-meta-tag" href="https://leonis.cc/category/sui-sui-nian.html">碎碎念</a>
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本文介绍于 2023 年东京大学发表在 Journal of Cheminformatics 上的一篇文章，文章原标题为 Investigation of chemical structure recognition by encoder–decoder models in learning progress，文章，文章研究了编码器-解码器模型训练过程中对化学结构识别的过程以及将其潜变量作为分子表示用于下游任务的效果。
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<a href="https://leonis.cc/tag/literature-summary.html"># Literature Summary</a><a href="https://leonis.cc/tag/cadd.html"># CADD</a><a href="https://leonis.cc/tag/rnn.html"># RNN</a> </aside>
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<h2 class="post-title"><a href="https://leonis.cc/sui-sui-nian/2023-04-28-summary-doi.org/10.1021/acs.jcim.2c01618.html" rel="bookmark" title="Permalink to 文献总结｜我们能用 Transformer 模型快速学会「翻译」活性分子吗？">文献总结｜我们能用 Transformer 模型快速学会「翻译」活性分子吗？</a>
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<span class="post-meta">
<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 4月28日">2023年 4月28日</time>
| Archived in
<a class="post-meta-tag" href="https://leonis.cc/category/sui-sui-nian.html">碎碎念</a>
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本文介绍于 2023 年发表在 Journal of Chemical Information and Modeling 上的一篇文章，文章原标题为 Can We Quickly Learn to “Translate” Bioactive Molecules with Transformer Models? 文章使用 MMP 数据训练 Transformer，使其生成具有活性的分子，文章结果表明 Transformer 对于未知靶点也能生成活性分子。
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<aside class="post-tags">
<a href="https://leonis.cc/tag/literature-summary.html"># Literature Summary</a><a href="https://leonis.cc/tag/cadd.html"># CADD</a><a href="https://leonis.cc/tag/transformer.html"># Transformer</a> </aside>
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<h2 class="post-title"><a href="https://leonis.cc/zai-lu-shang/2023-04-27-crabapple-of-tianjin.html" rel="bookmark" title="Permalink to 津城海棠">津城海棠</a>
</h2>
<span class="post-meta">
<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 4月27日">2023年 4月27日</time>
| Archived in
<a class="post-meta-tag" href="https://leonis.cc/category/zai-lu-shang.html">在路上</a>
</span>
<p class="post-excerpt">
五大道的海棠花开了，天津又到了最美的时候。 几年前初到天津时，给我印象最深刻的就是城中随处可见的海棠花。天津遍植海棠，却不是密密地栽种为若干排。而是漫步在街头时，走过几个街道，转过几个巷口，蓦地发现几枝洁白而间杂洋红的海 …
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<a href="https://leonis.cc/tag/sui-bi.html"># 随笔</a><a href="https://leonis.cc/tag/she-ying.html"># 摄影</a> </aside>
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<h2 class="post-title"><a href="https://leonis.cc/sui-sui-nian/2023-04-22-summary-openreview.html" rel="bookmark" title="Permalink to 文献总结｜使用上下文增强的分子表示提升少样本药物发现的效果">文献总结｜使用上下文增强的分子表示提升少样本药物发现的效果</a>
</h2>
<span class="post-meta">
<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 4月22日">2023年 4月22日</time>
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<a class="post-meta-tag" href="https://leonis.cc/category/sui-sui-nian.html">碎碎念</a>
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<p class="post-excerpt">
本文介绍于 2023 年发表在 ICLR 2023 上的一篇文章，文章原标题为 Context-enriched molecule representations improve few-shot drug discovery，文章介绍了一种可以用于药物发现的少样本学习模型 MHNfs，MHNfs 通过 Hopfield 网络用上下文数据集少样本的强化分子表示，提升了分子性质预测的准确度。
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<aside class="post-tags">
<a href="https://leonis.cc/tag/literature-summary.html"># Literature Summary</a><a href="https://leonis.cc/tag/cadd.html"># CADD</a><a href="https://leonis.cc/tag/transformer.html"># Transformer</a> </aside>
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<h2 class="post-title"><a href="https://leonis.cc/sui-sui-nian/2023-04-21-transformer-from-scratch.html" rel="bookmark" title="Permalink to 从零起步的 Transformer 与代码拆解">从零起步的 Transformer 与代码拆解</a>
</h2>
<span class="post-meta">
<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 4月21日">2023年 4月21日</time>
| Archived in
<a class="post-meta-tag" href="https://leonis.cc/category/sui-sui-nian.html">碎碎念</a>
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<p class="post-excerpt">
自 Google 的论文 Attention Is All You Need 发布后，几年内涌现了大量基于 Transformer 的模型，俨然形成了 Transformer 横扫人工智能领域的态势。 网络上也出现了大量解读论文或是讲解 Transformer 的文章，其中也不乏许多高水平人工智能从业者的解读。虽然有些可以称得上是高屋建瓴，但 …
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<a href="https://leonis.cc/tag/python.html"># Python</a><a href="https://leonis.cc/tag/pytorch.html"># PyTorch</a><a href="https://leonis.cc/tag/transformer.html"># Transformer</a> </aside>
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<h2 class="post-title"><a href="https://leonis.cc/sui-sui-nian/2023-04-15-summary-doi.org/10.1021/acs.jmedchem.2c01787.html" rel="bookmark" title="Permalink to 文献总结｜药物发现中的匹配分子对分析：方法与当前应用">文献总结｜药物发现中的匹配分子对分析：方法与当前应用</a>
</h2>
<span class="post-meta">
<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 4月15日">2023年 4月15日</time>
| Archived in
<a class="post-meta-tag" href="https://leonis.cc/category/sui-sui-nian.html">碎碎念</a>
</span>
<p class="post-excerpt">
本文介绍 2023 年由曹东升与侯廷军研究团队发表在 Journal of Medicinal Chemistry 上的一篇展望，文章原标题为 Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications，文章介绍了主要介绍了匹配分子对分析的理论与目前基于匹配分子对分析的实际应用。
</p>
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<aside class="post-tags">
<a href="https://leonis.cc/tag/literature-summary.html"># Literature Summary</a><a href="https://leonis.cc/tag/cadd.html"># CADD</a><a href="https://leonis.cc/tag/review.html"># Review</a> </aside>
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<h2 class="post-title"><a href="https://leonis.cc/zai-lu-shang/2023-04-11-my-gardening-plan.html" rel="bookmark" title="Permalink to 我的 2023 年春播计划">我的 2023 年春播计划</a>
</h2>
<span class="post-meta">
<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 4月11日">2023年 4月11日</time>
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过了惊蛰之后，万物萌动，看到园林工人正在整饬路旁的花圃，我的心里也跟着躁动起来，想着非要在阳台上种点什么才好，于是在一番调查与纠结之后确定了这篇春播计划。
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<a href="https://leonis.cc/tag/yuan-yi.html"># 园艺</a> </aside>
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<h2 class="post-title"><a href="https://leonis.cc/sui-sui-nian/2023-04-06-summary-doi.org/10.1186/s13321-023-00694-z.html" rel="bookmark" title="Permalink to 文献总结｜DrugEx v3：使用基于图 Transformer 的强化学习进行以分子骨架为约束的药物设计">文献总结｜DrugEx v3：使用基于图 Transformer 的强化学习进行以分子骨架为约束的药物设计</a>
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<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 4月06日">2023年 4月06日</time>
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本文介绍 2023 年发布在 Journal of Cheminformatics 上的一篇文章，文章原标题为 DrugEx v3: scaffold‑constrained drug design with graph transformer‑based reinforcement learning，文章介绍了使用包括 Transformer 和 LSTM 模型实现以分子骨架为约束的药物设计的方法并对比了使用 SMILES 与图两种方式的分子表示在分子生成中的区别。
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<a href="https://leonis.cc/tag/literature-summary.html"># Literature Summary</a><a href="https://leonis.cc/tag/cadd.html"># CADD</a><a href="https://leonis.cc/tag/transformer.html"># Transformer</a> </aside>
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<h2 class="post-title"><a href="https://leonis.cc/sui-sui-nian/2023-04-01-summary-doi.org/10.1186/s13321-023-00702-2.html" rel="bookmark" title="Permalink to 文献总结｜用于从蛋白序列进行药物设计的深度生成模型">文献总结｜用于从蛋白序列进行药物设计的深度生成模型</a>
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| <time datetime="2023年 4月01日">2023年 4月01日</time>
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本文介绍 2023 年发布在 Journal of Cheminformatics 上的一篇文章，文章原标题为 Deep generative model for drug design from protein target sequence，文章设计了一种基于 GAN 的蛋白配体分子生成模型，该模型只需要获取氨基酸序列的信息就可以生成相应蛋白口袋的配体。
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<h2 class="post-title"><a href="https://leonis.cc/gu-zhi-dui/2023-03-30-book-chinese-narratology.html" rel="bookmark" title="Permalink to 在明清小说中索隐：读《中国叙事学》">在明清小说中索隐：读《中国叙事学》</a>
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<a class="post-meta-tag" href="https://leonis.cc/author/leo.html">Leo</a>
| <time datetime="2023年 3月30日">2023年 3月30日</time>
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浦安迪的《中国叙事学》是一本讨论中国叙事传统和明清小说的小书，页数并不多，不消四五天即可翻完。虽然这是一本学术著作，但语言流畅、分析丝丝入扣，读起来时并不觉得枯燥乏味，反而觉得酣畅淋漓。书题虽为《中国叙事学》，但全书中专门论述 …
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