rnaimehaom Goto Github PK

1000_eng_dicts

1000 部英语类词典名录兼词典推荐、选择

1000gfastqc

A collection of 1000 Genomes samples run through FastQC and then MultiQC, for use in testing QC pipelines etc

2018-june-rna-seq-workshop

Focused multi-day workshop covering the material needed for a successful RNA-Seq experiment.

2018summer_chem_project

A neural network for predicting solubility of a molecule via its SMILES with accompanying notebooks

2020-dili-cnn-mfe

Source code and data of the paper entitled "Predicting Drug-Induced Liver Injury Using Convolutional Neural Network and Molecular Fingerprint-Embedded Features"

2020-intro_single_cell_rna_seq

A workshop for biologists preparing to run their first single-cell RNA Seq experiment. No prior experience in bioinformatics necessary.

2020-mrna_seq_workshop

Focused multi-day workshop covering the material needed for a successful RNA-Seq experiment.

2021-august-single-cell-rna-seq-analysis

A workshop for biologists preparing to run their first single cell RNA Seq experiment. Participants should have some command line and R experience to participate successfully. We recommend our introductory courses for beginners!

2021-september-rna-seq-analysis

A workshop for biologists preparing to run their first RNA Seq experiment. Participants should have some command line and R experience to participate successfully. We recommend our introductory courses for beginners! Single cell RNA Seq is covered in a separate course.

3d-af_surfer

3d-e-chem-vm

Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows

3d-editor

3d-generative-sbdd

💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)

3d_molecules_generation_tute

3d_protein_structure

protein homology modeling

3dfp

3dinfomax

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

3dlinker

An E(3) Equivariant Variational Autoencoder for Molecular Linker Design

3dstructgen

3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.

4g5_solubility

Prediction of solubility using kernel regression

5minfame

a-graph-convolutional-neural-network-for-addressing-small-scale-reaction-prediction

This is the code for "A-graph-convolutional-neural-network-for-addressing-small-scale-reaction-prediction" paper.

a-gru-based-rnn-model-for-predicting-hla-ii-binding-peptides

GRU-Based RNN Classifier for Predicting HLA-Binding Peptides

a-hiot

a-new-molecule-effective-against-sars-cov-2

We combined a recurrent neural network generative model with transfer learning methods and active learning based algorithms to design novel small molecules capable of effectively inhibiting the 3CL protease in human cells. We then analyze these small molecules to find the correct binding site that matches the structure of the 3CL protease of our target virus as well as other analyses performed in this study. Based on these screening results, some molecules have achieved a good binding score close to -18 kcal/mol, which we can consider as good potential candidates for further synthesis and testing against SARS-CoV-2.

aa-score-tool

a tool for protein-ligand binding affinity prediction

aaconservation

A library for calculating Amino Acid conservation in sequence alignment

aaron

AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions.

ab-bind-database

Antibody Binding Mutational Database

abchemoinformatics

:ab: ABC of chemoinformatics