Topic: binding-affinity Goto Github
Some thing interesting about binding-affinity
Some thing interesting about binding-affinity
binding-affinity,Official Implementation of Compass
Organization: bimsbbioinfo
Home Page: https://arxiv.org/abs/2406.06841
binding-affinity,Predicts the dissociation coefficients between drug-protein (target) pairs using molecular fingerprints and physicochemical protein properties.
User: brendan-p-moore
binding-affinity,NeuralMD for protein-ligand binding MD simulation
User: chao1224
Home Page: https://chao1224.github.io/NeuralMD
binding-affinity,Prediction of Absolute Ligand-Protein Binding Affinity
Organization: college-of-pharmacy-gachon-university
binding-affinity,Code for Binding Affinity Prediction with Graph Neural Networks
User: eereenah
binding-affinity,Predicting the effect of mutations on protein stability and protein-protein interaction affinity.
Organization: elaspic
Home Page: https://gitlab.com/kimlab/elaspic
binding-affinity,Predicting the effect of mutations on protein stability and protein binding affinity using pretrained neural networks and a ranking objective function.
Organization: elaspic
Home Page: https://gitlab.com/elaspic/elaspic2
binding-affinity,Create customized voxel representations of protein-ligand complexes using GPU.
Organization: gmmsb-lncc
Home Page: https://docktgrid.readthedocs.io
binding-affinity,Predict the binding affinity of protein-protein complexes from structural data
Organization: haddocking
Home Page: https://wenmr.science.uu.nl/prodigy/
binding-affinity,PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data
User: huankoh
binding-affinity,Predict binding affinity of ligand-protein complexes using Graph Neural Networks. The model is implemented using PyTorch Geometric and based on the method in "Predicting drug-target interaction using 3D structure-embedded graph representations from graph neural networks"
User: kthrn22
Home Page: https://pubs.acs.org/doi/abs/10.1021/acs.jcim.9b00387
binding-affinity,TAG-DTA: Binding Region-Guided Strategy to Predict Drug-Target Affinity Using Transformers
Organization: larngroup
binding-affinity,mulecule protein binding affinity prediction
User: mahmoddahol
binding-affinity,Dataset with quantitative binding scores of scFv-format antibodies against SARS-CoV-2 target peptide
Organization: mit-ll
binding-affinity,Package to solve multiple chemical equilibria problems.
User: mtod92
binding-affinity,🤗 Hugging Face space for gnina-torch 🔥
User: rmeli
binding-affinity,Group project for Fall 2020 Computational Medicine course.
User: ryanquinnnelson
binding-affinity,Final Project of Deep Learning for Healthcare Spring 2022 - Reproducing DeepDTA
User: ytabatabaee
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