AI Agent Skills

[Unofficial] PyTorch implementation of "Conformer: Convolution-augmented Transformer for Speech Recognition" (INTERSPEECH 2020)

Generate molecular conformers with RDKit ETKDG, relax with MLIPs, and rank by energy with Boltzmann weighting.

Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

基于PaddlePaddle实现端到端中文语音识别，从入门到实战，超简单的入门案例，超实用的企业项目。支持当前最流行的DeepSpeech2、Conformer、Squeezeformer模型

Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descripto…

Dock small-molecule guests into a porous host material using the VOID library (Voronoi Clustering), generating multiple 3D conformers with RDKit and ranking generated co…