ashvardanian / usearch-molecules
Searching for structural similarities across billions of molecules in milliseconds
☆48Updated 7 months ago
Related projects ⓘ
Alternatives and complementary repositories for usearch-molecules
- Molecular dynamics simulations with an LLM agent☆75Updated last week
- ☆61Updated this week
- Minimal AlphaFold☆54Updated 2 months ago
- Implementation of Nvidia's NeuralPlexer, for end-to-end differentiable design of functional small-molecules and ligand-binding proteins, …☆51Updated last year
- Molecular bloom filter tool☆112Updated 7 months ago
- Supporting code for the paper "Discovery of a structural class of antibiotics with explainable deep learning"☆86Updated last year
- OCE is the first infinitely composable library for reproducibly implementing SOTA molecular property prediction/QSAR techniques.☆98Updated last year
- ML-guided enzyme engineering☆34Updated last week
- BARTSmiles, generative masked language model for molecular representations☆31Updated 10 months ago
- bioinformatics tools running on modal☆61Updated this week
- Natural language computational chemistry command line interface.☆44Updated last year
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆32Updated last year
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆65Updated 3 weeks ago
- Protein Sequence Design with Deep Learning and Tooling like Monte Carlo Sampling and Analysis☆50Updated 3 weeks ago
- This repo contains the results data for Adaptyv Bio’s EGFR Protein Design Competition.☆28Updated 3 weeks ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆45Updated 3 weeks ago
- The gzip classification method implemented for molecule classification.☆54Updated 2 months ago
- ChemNLP project☆148Updated this week
- ☆25Updated last week
- create a glossary out of your manuscript in materials and chemistry – instantly☆11Updated 4 months ago
- molecular plots in Jupyter, powererd by Blender Geometry Nodes☆54Updated 7 months ago
- ☆28Updated last year
- Recursion's molecular foundation model☆27Updated last month
- Repository for the SCS Spring School on Digital Chemistry☆20Updated last year
- ☆18Updated last month
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆28Updated this week
- Reaction SMILES-AA mapping via language modelling☆29Updated 2 months ago
- ☆24Updated last month
- BayesOpt + LIFT☆65Updated 3 weeks ago
- A conda-smithy repository for ambertools.☆10Updated 2 weeks ago