rt2lab / rt2lab.github.io
RT2 Lab website, built with Jekyll.
☆11Updated last year
Related projects ⓘ
Alternatives and complementary repositories for rt2lab.github.io
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆31Updated this week
- Deep mutational scanning of the receptor-binding domain of SARS-CoV-2 Spike☆42Updated 2 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 2 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆29Updated 4 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆13Updated 4 years ago
- A Python platform for Structural Bioinformatics☆54Updated 9 months ago
- ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation☆15Updated 11 months ago
- A geometric deep learning pipeline for predicting protein interface contacts. (ICLR 2022)☆63Updated 2 years ago
- PyMOL extension to color AlphaFold structures by confidence (pLDDT).☆73Updated 4 months ago
- Code for holographic machine learning of proteins☆20Updated 3 weeks ago
- a Transformer-based neural network for generating highly optimized protein sequences called Regularized Latent Space Optimization (RELSO)☆83Updated last year
- A curated list of awesome AI and Bioinformatics.☆39Updated last year
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆71Updated 6 months ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆18Updated 2 weeks ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆27Updated this week
- ☆12Updated 2 years ago
- ☆31Updated last year
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆61Updated 2 years ago
- List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fie…☆120Updated last week
- The standalone version of SPOT-1D-Single available for public use for research purposes.☆23Updated 6 months ago
- RNA Multiple Sequence Alignment☆26Updated last year
- ☆25Updated 3 years ago
- CADEE: Computer-Aided Directed Evolution of Enzymes☆16Updated last year
- Package for processing and analyzing glycans and their role in biology.☆57Updated this week
- dMaSIF implementation for google colab☆29Updated last year
- CArbohydrate-Protein Site IdentiFier☆10Updated last year
- Python implementation of the Ramachandran plot☆43Updated 4 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated last year
- JAEGER is a deep generative approach for small-molecule design☆27Updated 2 years ago