HannesStark / hannes-stark
Code for my website built with Angular and running on GitHub Pages.
☆15Updated 3 months ago
Alternatives and similar repositories for hannes-stark:
Users that are interested in hannes-stark are comparing it to the libraries listed below
- The Forward-Forward Algorithm for Drug Discovery☆34Updated 2 years ago
- In-silico design pipeline for evaluating protein structure diffusion models.☆20Updated 7 months ago
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆27Updated last year
- paper link: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-022-00643-2☆21Updated 2 years ago
- ☆12Updated 2 months ago
- A tool for predicting the effects of missense mutations on protein stability changes upon missense mutation using protein sequence only. …☆22Updated last year
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆25Updated last year
- Machine learning notebooks and code used for demonstration purposes☆24Updated 3 years ago
- Official implementation of DrugGEN☆54Updated this week
- [ICML 2023] Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction☆24Updated last year
- ⛰️ RockyML - A High-Performance Scientific Computing Framework for Non-smooth Machine Learning Problems☆19Updated last year
- Taxonomy of Benchmarks in Graph Representation Learning☆19Updated 2 years ago
- ☆26Updated 7 months ago
- LLM Agent that leverages cheminformatics tools to provide informed responses.☆28Updated 3 months ago
- ☆26Updated 3 months ago
- Protein structure prediction is the task of predicting the 3-dimensional structure (shape) of a protein given its amino acid sequence and…☆17Updated 2 years ago
- Source code of MOLLEO☆34Updated 7 months ago
- GitHub for AI4PD 2023 Workshop in Chile☆12Updated last year
- Papers about scientific hypothesis generation with large language models (LLMs).☆49Updated 2 months ago
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆54Updated 8 months ago
- Iterative masking algorithm on MSA Transformer to generate synthetic sequences☆23Updated last year
- Code for ICML 2023 paper "Reprogramming Pretrained Language Models for Antibody Sequence Infilling"☆23Updated last year
- Synthetic coordinates for GNNs, as proposed in "Directional Message Passing on Molecular Graphs via Synthetic Coordinates" (NeurIPS 2021)☆29Updated last year
- Deep learning datasets for RNA 3D and 2.5D structures.☆15Updated this week
- NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement☆46Updated last year
- Differentiable Pairing using Alignment-based Language Models☆17Updated last year
- GNN enabled surrogate modeling for chemical docking☆13Updated 2 years ago
- Extract Molecular SMILES embeddings from language models pre-trained with various objectives architectures.☆16Updated last year
- Drug-Drug Interaction Predicting by Neural Network Using Integrated Similarity☆29Updated 3 years ago
- The Automated Protein-Protein Free Energy tooL (APPFEL.py) is designed to calculate the affinity of any protein-protein complex starting …☆10Updated 7 months ago