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deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

diffab

✌🏻 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures (NeurIPS 2022)

diffdock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

laidd_gnn

lammps

Public development project of the LAMMPS MD software package

lora

Code for loralib, an implementation of "LoRA: Low-Rank Adaptation of Large Language Models"

nebterpolator

Interpolator for generating smooth paths from an ab-intio MD trajectory for NEB calculations.

omegafold

OmegaFold Release Code

practice

qiskit-hackathon-korea-21

A repository for Qiskit Hackathon Korea (February 16-19, 2021)

qiskit-terra

Terra provides the foundations for Qiskit. It allows the user to write quantum circuits easily, and takes care of the constraints of real hardware.

refinegnn

rfdiffusion

Code for running RFdiffusion

rosettafold

This package contains deep learning models and related scripts for RoseTTAFold

tensorflow

An Open Source Machine Learning Framework for Everyone

yubeenkim

yubeenkim.github.io

Computational Biology Blog