Jourmore's repositories
jourmore.github.io
Jourmore Personal Homepage
Uni-Dock
Uni-Dock: a GPU-accelerated molecular docking program
streamlit-material
The streamlit components based on materialsproject/mp-react-components
PPIRef
Working with protein-protein interactions in 3D
ketcher
Web-based molecule sketcher
ablm
Protein language model customized for antibodies
nanobert-2
A simple implementation of BERT to imrpove our understanding.
DBMD
Deep Boosted Molecular Dynamics
mutils
Mutation utilities for protein design
lipid17
itp and gro of 246 lipids for Amber forcefield in GROMACS
vector-quantize-pytorch
Vector (and Scalar) Quantization, in Pytorch
NanoBERTa-ASP
Predicting Nanobody Binding Epitopes Based on a Pretrained RoBERTa-based Model
CHAPERONg
CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses
SBILib
a handle for protein modelling and engineering
PeptideBERT
Transformer Based Language Model for Peptide Property Prediction
TemStaPro
TemStaPro - a program for protein thermostability prediction using sequence representations from a protein language model.
Dynamics
Dynamics PyMOL Plugin
ChemGCN
ChemGCN is a graph convolutional network to predict water solubilities of small molecules.
openmm.py
Open-Sourced: Python script of openmm simulation. For GPU-accelerated molecular dynamics for protein-ligand complex.
alphafold_non_docker
AlphaFold2 non-docker setup
Open-Catalyst-Dataset
Workflow for creating and analyzing the Open Catalyst Dataset