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abangle

A tool for calculating and analysing the VH-VL orientation in antibodies.

abgnn

PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"

ablang

AbLang: A language model for antibodies

acp-dl

A deep learning model to predict anticancer peptides.

alphafold3_ppi

anarci

Antibody Numbering and Antigen Receptor ClassIfication

antoncgnn

apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation

autodock-gpu

AutoDock for GPUs and other accelerators

autodock-vina

AutoDock Vina

automatic-pka-prediction

automd

Fast to molecular dynamics simulation.

bidd-molmap

MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning

binding-ddg-predictor

open source repository

biophi

BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluation (OASis) and an interface for computer-assisted antibody sequence design.

biopython

Official git repository for Biopython (originally converted from CVS)

byprot

cage-prox-cartddg_protein_ligand-

Computer aided proximal decaging as a universal strategy for temporal protein activation

cdhit

Automatically exported from code.google.com/p/cdhit

chatpaper

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

chex

colabdesign

Making Protein Design accessible to all via Google Colab!

colabfold

Making Protein folding accessible to all!

compute_pka

Computes apparent pKa values from QM dat

conbotnet

cumab

ddg

A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.

ddgscan

The unofficial but faster and more powerful package for GRAPE(https://nmdc.cn/grape-web/)

deepab-antibody-structure-predict-

Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.

deepimmuno

Deep-learning empowered prediction and generation of immunogenic epitopes for T cell immunity