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3dinfomax

Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.

4cac

adapter-transformers

Huggingface Transformers + Adapters = ❤️

af2complex

Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.

alphafill

AlphaFill is an algorithm based on sequence and structure similarity that “transplants” missing compounds to the AlphaFold models. By adding the molecular context to the protein structures, the models can be more easily appreciated in terms of function and structure integrity.

alphazerofromscratch

ankh

Ankh: Optimized Protein Language Model

assembly-dereplicator

A tool for removing redundant genomes from a set of assemblies

awemags

aweMAGs: a fully automated workflow for eukariotic MAGs

awesome-ai-bioinformatics

A curated list of awesome AI and Bioinformatics.

awesome-cheminformatics

A curated list of Cheminformatics libraries and software.

awesome-diffusion-models-for-science

awesome-pangenomes

A list of software for pangenomics

awesome-python-chemistry

A curated list of Python packages related to chemistry

awesome-small-molecule-ml

A curated list of resources for machine learning for small-molecule drug discovery

bgcflow-0.7

Snakemake workflow to systematically analyze BGCs and pangenomes of large number genomes

bgclib

Methods and classes to support Biosynthetic Gene Cluster analysis

bidirectional_streaming_ai_voice

Python scripts to handle a two way voice conversation with Anthropic Claude, using ElevenLabs, Faster-Whisper, and Pygame.

bigcarp

Masked language models of biosynthetic gene clusters

braker

BRAKER is a pipeline for fully automated prediction of protein coding gene structures with GeneMark-ES/ET and AUGUSTUS in novel eukaryotic genomes

carsidock

central-limit-theorem

Visualize CLT in Python

chatgpt_academic

科研工作专用ChatGPT拓展，特别优化学术Paper润色体验，支持自定义快捷按钮，支持markdown表格显示，Tex公式双显示，代码显示功能完善，新增本地Python工程剖析功能/自我剖析功能

chatpaper

Use ChatGPT to summarize the arXiv papers. 全流程加速科研，利用chatgpt进行论文总结+润色+审稿+审稿回复

chemprop

Message Passing Neural Networks for Molecule Property Prediction

chroma

A generative model for programmable protein design

clade

cncjs

A web-based interface for CNC milling controller running Grbl, Marlin, Smoothieware, or TinyG.

compound_protein_interac_pred

Enzyme Activity Prediction of Sequence Variants onNovel Substrates using Improved Substrate Encodings and Convolutional Pooling

cs_ccme_posts

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