deepforestsci / chemberta3Links
ChemBERTa-3 Repo
☆31Updated last month
Alternatives and similar repositories for chemberta3
Users that are interested in chemberta3 are comparing it to the libraries listed below
Sorting:
- Code Space of SynLlama☆43Updated last month
- ☆40Updated 8 months ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆67Updated 3 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆73Updated 10 months ago
- ☆41Updated 10 months ago
- A comprehensive Model Context Protocol (MCP) server providing advanced access to the ChEMBL chemical database.☆75Updated last month
- a multi-property optimization method.☆32Updated last year
- ☆28Updated 3 years ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆46Updated 2 weeks ago
- Multiple Optimized Specialists for AI-Driven Chemical Predictions☆56Updated last week
- Downloads USPTO patents and finds molecules related to keyword queries☆68Updated 2 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- Machine learning accelerated docking screens☆69Updated last year
- ☆51Updated 10 months ago
- CheMeleon Descriptor-based Foundation Model☆111Updated this week
- Recursion's molecular foundation model☆66Updated 8 months ago
- A Multi-modal System for Automated Mining of Protein-Ligand Bioactivity Data from Literature☆70Updated last month
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆76Updated 2 months ago
- ☆55Updated last year
- Autoregressive fragment-based diffusion for target-aware ligand design☆32Updated last year
- Atom-in-SMILES tokenizer for SMILES strings.☆42Updated last year
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆54Updated 3 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆71Updated last year
- ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.☆28Updated last week
- ☆27Updated last year
- ☆39Updated 2 years ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆88Updated last week
- ☆28Updated 2 years ago
- Useful functions for working with small molecules☆57Updated 4 months ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated 2 years ago