issues
search
kntkb
/
technotes
Personal technical notes
1
stars
0
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
AlphaPulldown
#82
kntkb
opened
11 months ago
0
Explanations of Molecular Prediction Models (Andrew White)
#81
kntkb
opened
11 months ago
0
Predicting activity cliffs using deep learning methods (few literatures)
#80
kntkb
opened
11 months ago
0
Building ultra-large virtual library (Enamine)
#79
kntkb
opened
11 months ago
1
Exhaustive local chemical space exploration using a transformer model (Mol2Mol by AstraZeneca)
#78
kntkb
opened
11 months ago
0
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
#77
kntkb
opened
11 months ago
0
Literatures related to poised fragment library
#76
kntkb
opened
11 months ago
0
Expanded Ensemble Methods Can be Used to Accurately Predict Protein-Ligand Relative Binding Free Energies
#75
kntkb
opened
11 months ago
0
Times Square sampling: an adaptive algorithm for free energy estimation
#74
kntkb
closed
10 months ago
0
Machine Learning-Guided Protein Engineering
#73
kntkb
opened
11 months ago
0
Easy and accurate protein structure prediction using ColabFold
#72
kntkb
opened
12 months ago
0
Computational methods and tools to predict cytochrome P450 metabolism for drug discovery
#71
kntkb
opened
12 months ago
0
REINVENT4: Modern AI–Driven Generative Molecule Design
#70
kntkb
closed
10 months ago
0
Improving protein expression, stability, and function with ProteinMPNN
#69
kntkb
closed
11 months ago
2
Generalized Biomolecular Modeling and Design with RoseTTAFold All-Atom
#68
kntkb
opened
1 year ago
0
An Introduction to the Bootstrap
#67
kntkb
opened
1 year ago
0
Generative artificial intelligence for de novo protein design
#66
kntkb
closed
1 year ago
1
Robust deep learning–based protein sequence design using ProteinMPNN
#65
kntkb
opened
1 year ago
0
Evolutionary-scale prediction of atomic-level protein structure with a language model
#64
kntkb
opened
1 year ago
0
mGPfusion: predicting protein stability changes with Gaussian process kernel learning and data fusion
#63
kntkb
opened
1 year ago
0
Self memo for denovo protein design
#62
kntkb
opened
1 year ago
0
In silico evolution of autoinhibitory domains for a PD-L1 antagonist using deep learning models
#61
kntkb
opened
1 year ago
0
Expression and purification of recombinant G protein-coupled receptors: A review
#60
kntkb
closed
1 year ago
0
(Chroma) Illuminating protein space with a programmable generative model
#59
kntkb
closed
1 year ago
2
Design of protein-binding proteins from the target structure alone
#58
kntkb
opened
1 year ago
0
Autoregressive fragment-based diffusion for pocket-aware ligand design
#57
kntkb
opened
1 year ago
0
Looking at the posterior: accuracy and uncertainty of neural-network predictions
#56
kntkb
closed
1 year ago
1
Notes for learning from RNA and other biopolymer experiments
#55
kntkb
opened
1 year ago
0
Protein stability prediction using AlphaFold-like methods?
#54
kntkb
opened
1 year ago
1
Tutorial: How to Train a Neural Network Potential
#53
kntkb
opened
1 year ago
0
Trends in peptide drug discovery
#52
kntkb
opened
1 year ago
0
drugging rna
#51
kntkb
opened
1 year ago
0
Introduction to diffusion models in chemistry
#50
kntkb
opened
1 year ago
0
Scaling Laws for Neural Language Models
#49
kntkb
opened
1 year ago
0
AlphaFold-related papers
#48
kntkb
opened
1 year ago
1
Better understand the AlphaFold-like architecture
#47
kntkb
opened
1 year ago
3
AlphaPulldown—a python package for protein–protein interaction screens using AlphaFold-Multimer
#46
kntkb
opened
1 year ago
0
Architectures of Topological Deep Learning: A Survey on Topological Neural Networks
#45
kntkb
opened
1 year ago
0
On the Expressive Power of Geometric Graph Neural Networks
#44
kntkb
opened
1 year ago
0
Bias Free Multiobjective Active Learning for Materials Design and Discovery
#43
kntkb
opened
1 year ago
0
Generative Models as an Emerging Paradigm in the Chemical Sciences (review paper)
#42
kntkb
opened
1 year ago
0
check datamol
#41
kntkb
opened
1 year ago
0
ChemCrow: Augmenting large-language models with chemistry tools
#40
kntkb
opened
1 year ago
0
Transformer review
#39
kntkb
opened
1 year ago
0
Improving simulations with experimental results
#38
kntkb
opened
1 year ago
0
Key Residues in δ Opioid Receptor Allostery Explored by the Elastic Network Model and the Complex Network Model Combined with the Perturbation Method
#37
kntkb
opened
1 year ago
0
Neural network potentials for chemistry: concepts, applications and prospects
#36
kntkb
opened
1 year ago
0
Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations
#35
kntkb
opened
1 year ago
0
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
#34
kntkb
opened
1 year ago
1
Protein Structure and Sequence Generation with Equivariant Denoising Diffusion Probabilistic Models
#33
kntkb
opened
1 year ago
0
Previous
Next