ZhaoLongSYSU / PocketDTALinks
PocketDTA
☆37Updated last week
Alternatives and similar repositories for PocketDTA
Users that are interested in PocketDTA are comparing it to the libraries listed below
Sorting:
- Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks☆32Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 6 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated last month
- ☆71Updated 8 months ago
- This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)☆42Updated last year
- ☆34Updated last year
- Transformer Based Language Model for Peptide Property Prediction☆48Updated last year
- ☆92Updated last month
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆82Updated 4 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- code for SeqDance/ESMDance, biophysics-informed protein language models☆41Updated 7 months ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆43Updated 3 weeks ago
- ☆79Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 8 months ago
- ☆72Updated last month
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated 2 years ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆46Updated 3 weeks ago
- ☆38Updated 7 months ago
- ☆45Updated last year
- ☆39Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated this week
- ☆38Updated 4 months ago
- Mutational Effect Transfer Learning (METL) framework for pretraining and finetuning biophysics-informed protein language models☆58Updated last month
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆40Updated last year
- Antibody paratope prediction using Graph Neural Networks with minimal feature vectors☆37Updated 2 years ago
- dMaSIF implementation for google colab☆35Updated 2 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆77Updated 3 months ago