kalininalab / DataSAILLinks
DataSAIL is a tool to split datasets while reducing information leakage.
☆45Updated 3 weeks ago
Alternatives and similar repositories for DataSAIL
Users that are interested in DataSAIL are comparing it to the libraries listed below
Sorting:
- Structure prediction of alternative protein conformations☆80Updated 11 months ago
- ☆47Updated 9 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆73Updated 10 months ago
- Mutational Effect Transfer Learning (METL) framework for pretraining and finetuning biophysics-informed protein language models☆60Updated this week
- ☆55Updated last month
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated 2 years ago
- Code for deep learning guided design of dynamic proteins☆32Updated last year
- Metrics for our protein design competitions.☆35Updated last year
- A benchmark for 3D biomolecular structure prediction models☆69Updated 8 months ago
- dMaSIF implementation for google colab☆36Updated 2 years ago
- ☆37Updated 2 years ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆86Updated 3 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 7 months ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆34Updated 2 years ago
- High-throughput framework for running molecular simulations for METL☆23Updated 4 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated 2 weeks ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆61Updated 8 months ago
- A Unified Approach to Protein Engineering☆41Updated last year
- Pretrained METL models with minimal dependencies☆16Updated 4 months ago
- De novo drug design with deep interactome learning☆19Updated 8 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆41Updated 7 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆52Updated last month
- ☆40Updated last year
- Resources for the BioML Challenge 2024: Bits to Binders☆18Updated last year
- Structure prediction and design of proteins with noncanonical amino acids☆117Updated this week
- ☆30Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆60Updated last week
- ☆35Updated 2 months ago
- ☆24Updated 5 months ago