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Jianmin Wang (AspirinCode)

AspirinCode

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Company:Yonsei University

Location:中国(China)

Home Page:https://jianmin2drugai.github.io/

Twitter:@Jianmin4drugai

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Jianmin Wang's starred repositories

foldmason

Multiple Protein Structure Alignment at Scale with FoldMason

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alphaflow

AlphaFold Meets Flow Matching for Generating Protein Ensembles

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DiffDock-Pocket

Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility

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AbNumber

Convenience Python APIs for antibody numbering using ANARCI

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AF2_benchmark

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COATI

COATI: multi-modal contrastive pre-training for representing and traversing chemical space

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NNPOps

High-performance operations for neural network potentials

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pepfunn

Python package for the analysis of natural and modified peptides using a set of modules to study their sequences

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receptor-hopping

Simulation input files for the paper "Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy Calculations"

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MatCS

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awesome-ChemicalSpectraAI

AI for Chemical Spectra

License:GPL-3.0Stargazers:3Issues:0Issues:0

UTGDiff

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pensa

PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.

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lightweight-registration

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MDANCE

MDANCE is a flexible n-ary clustering package for all applications.

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SyCo

Official Implementation of our Paper "Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space" (ICML 2024 GRaM Workshop)

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e3x

E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.

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OMG

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gLM2

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ringer

RINGER: Rapid Conformer Generation for Macrocycles with Sequence-Conditioned Internal Coordinate Diffusion

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bio-deep-learning

Deep learning models applied to drug discovery and bioinformatics

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FragmentKnitwork

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idpsam

Generate intrinsically disordered peptide conformations via machine learning

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ChemProjector

:dart: Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)

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AIMNet2

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DeepRetrosynthesis

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pinder

PINDER: The Protein INteraction Dataset and Evaluation Resource

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PD-1_Fab_Diffusion

PD-1 Targeted Antibody Discovery Using AI Protein Diffusion

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mapchiral

Chiral version of the MinHashed Atom-Pair Fingerprint

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p-IgGen

p-IgGen: A Generative Paired Antibody Language Model

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