kalininalab / DataSAIL
DataSAIL is a tool to split datasets while reducing information leakage.
☆18Updated 3 weeks ago
Alternatives and similar repositories for DataSAIL:
Users that are interested in DataSAIL are comparing it to the libraries listed below
- Extension of ThermoMPNN for double mutant predictions☆20Updated 2 weeks ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆38Updated 8 months ago
- Efficient manipulation of protein structures in Python☆51Updated 2 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆40Updated last month
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆26Updated last year
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆67Updated 5 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆24Updated this week
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated last month
- ☆36Updated last year
- code for SeqDance, a biophysics-informed protein language model☆21Updated 3 months ago
- scripts to find PBD structures for cancer driver proteins☆29Updated 2 weeks ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆46Updated last month
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆47Updated last month
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆12Updated last year
- A bunch of shell utilities for dealing the silent files☆54Updated 2 months ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆17Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆27Updated this week
- A benchmark for 3D biomolecular structure prediction models☆52Updated last month
- Modelling protein conformational landscape with Alphafold☆37Updated this week
- ☆29Updated last year
- ☆13Updated 2 years ago
- ☆41Updated 4 months ago
- Structure prediction of alternative protein conformations☆73Updated 5 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 9 months ago
- A Unified Approach to Protein Engineering☆41Updated 6 months ago
- ☆72Updated this week
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated 11 months ago
- ☆13Updated 3 months ago
- Fitness landscapes for antibodies☆59Updated 2 weeks ago
- ☆46Updated 3 weeks ago