IBM / AutoPeptideML
AutoML system for building trustworthy peptide bioactivity predictors
☆22Updated this week
Alternatives and similar repositories for AutoPeptideML:
Users that are interested in AutoPeptideML are comparing it to the libraries listed below
- RXN for biochemical reactions☆67Updated 2 years ago
- ☆17Updated 2 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆35Updated 11 months ago
- Reaction SMILES-AA mapping via language modelling☆29Updated 6 months ago
- BARTSmiles, generative masked language model for molecular representations☆32Updated last year
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆32Updated 10 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆36Updated 3 months ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆32Updated 3 years ago
- Structure-Informed Protein Language Model☆29Updated last year
- Curated list on Deep Transformers Applications on Biology and Chemistry☆18Updated last year
- Knowledge-enhanced learned representation enriches protein sequence and SMILES drug databases with a large Knowledge Graph fused from dif…☆57Updated 3 months ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆40Updated last month
- dMaSIF implementation for google colab☆30Updated last year
- Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models☆22Updated 3 months ago
- ☆62Updated 2 months ago
- Mutational Effect Transfer Learning (METL) framework for pretraining and finetuning biophysics-informed protein language models☆34Updated this week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 5 months ago
- PocketDTA☆25Updated 4 months ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆66Updated 4 months ago
- Web cards/apps describing peptides☆28Updated last year
- Structure prediction of alternative protein conformations☆74Updated 2 weeks ago
- CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes☆31Updated last month
- Differentiable Pairing using Alignment-based Language Models☆19Updated last year
- Score-based 3D molecule generation with neural fields☆21Updated 3 months ago
- Efficient manipulation of protein structures in Python☆51Updated 4 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆28Updated this week
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆63Updated 3 months ago