☆17Mar 14, 2025Updated last year
Alternatives and similar repositories for solvmate
Users that are interested in solvmate are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆106Apr 24, 2026Updated last month
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated last year
- ☆14Oct 16, 2022Updated 3 years ago
- UQ4DD: Uncertainty Quantification for Drug Discovery☆18Aug 4, 2025Updated 9 months ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Contains relevant project files to publicly available tautomer database "Tautobase"☆23Nov 8, 2022Updated 3 years ago
- cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effe…☆30May 11, 2026Updated last week
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated last year
- ☆13Jun 11, 2025Updated 11 months ago
- This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published b…☆92Mar 19, 2026Updated 2 months ago
- CoRE-MOF as a Python package☆23Nov 21, 2024Updated last year
- Quantifying Pairwise Chemical Similarity for Polymers☆15Jan 23, 2024Updated 2 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- A purely functional cheminformatics toolkit written in Scala☆16Jun 7, 2013Updated 12 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆31Apr 9, 2025Updated last year
- ☆21Mar 14, 2023Updated 3 years ago
- A wrapper to run xtb inside Gaussian.☆29Aug 18, 2020Updated 5 years ago
- Automagically resolve the best structure for molecules across several databases from identifiers☆45Apr 22, 2026Updated last month
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆37Apr 11, 2024Updated 2 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago
- Pairwise Difference Learning (PDL) is a meta-learning framework that leverages pairwise differences to transform multiclass problems into…☆22Aug 27, 2025Updated 8 months ago
- Mordred port in cpp☆55Feb 27, 2025Updated last year
- Simple Python interface to OPSIN: Open Parser for Systematic IUPAC nomenclature☆77Mar 16, 2026Updated 2 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Modeling Tanimoto distributions for RDKit☆18Feb 28, 2020Updated 6 years ago
- pythonic interface to virtual screening software☆91Sep 4, 2025Updated 8 months ago
- ☆27Mar 31, 2023Updated 3 years ago
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆67Sep 10, 2025Updated 8 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆31May 9, 2026Updated 2 weeks ago
- Downloads USPTO patents and finds molecules related to keyword queries☆72Dec 8, 2023Updated 2 years ago
- ☆15Jun 18, 2024Updated last year
- Mapping properties to molecules in QM7-X☆15Aug 14, 2024Updated last year
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆13Jun 27, 2025Updated 10 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).☆14May 18, 2018Updated 8 years ago
- Language-interfaced fine-tuning for chemistry☆45Nov 30, 2023Updated 2 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 3 months ago
- Applying Machine Learning methodologies in search of novel MOF's and battery materials.☆14May 31, 2023Updated 2 years ago
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆14Oct 21, 2024Updated last year
- Functional Geometry in Prolog☆18May 17, 2020Updated 6 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago