OpenBioML / chemnlp
ChemNLP project
☆151Updated this week
Alternatives and similar repositories for chemnlp:
Users that are interested in chemnlp are comparing it to the libraries listed below
- ☆189Updated this week
- ☆237Updated 8 months ago
- A deep learning model for small molecule drug discovery and cheminformatics based on SMILES☆152Updated last year
- Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42…☆214Updated last week
- Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…☆168Updated 3 years ago
- ☆122Updated last year
- A single model for all your molecular design tasks☆99Updated last month
- ☆219Updated 4 months ago
- ☆76Updated 9 months ago
- Explainer for black box models that predict molecule properties☆291Updated last month
- [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback☆145Updated last month
- Python wrapper for the IBM RXN for Chemistry API☆180Updated 7 months ago
- molfeat - the hub for all your molecular featurizers☆194Updated last month
- Transformer-based model for chemical reactions☆67Updated last month
- DeepMol: A Machine and Deep Learning Framework for Computational Chemistry☆129Updated this week
- overview of datasets for ML in chemistry☆281Updated 5 months ago
- BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)☆101Updated 4 months ago
- Molecular dynamics simulations with an LLM agent☆77Updated this week
- A tool for evaluating the predictive performance on activity cliff compounds of machine learning models☆171Updated 9 months ago
- LLM for Drug Editing, ICLR 2024☆144Updated 7 months ago
- An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular desig…☆161Updated last month
- Associated Repository for "Translation between Molecules and Natural Language"☆162Updated last year
- Implementation of the Paper "Learning Continuous and Data-Driven Molecular Descriptors by Translating Equivalent Chemical Representations…☆224Updated last year
- Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…☆51Updated last year
- SMILES Pair Encoding: A data-driven substructure representation of chemicals☆188Updated last year
- Foster the development of impactful AI models in drug discovery.☆109Updated this week
- ☆154Updated 10 months ago
- Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation☆283Updated last year
- A comprehensive repository dedicated to the collection and exploration of studies utilizing Large Language Models for molecular design, p…☆40Updated last year
- Baselines models for GuacaMol benchmarks☆137Updated 11 months ago