☆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:
- ☆114Apr 24, 2026Updated 3 months ago
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated last year
- ☆14Oct 16, 2022Updated 3 years ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated 2 years ago
- ☆43Jul 20, 2026Updated 3 weeks ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆32Apr 9, 2025Updated last year
- A lightweight script to make vector images of molecules☆19Oct 17, 2025Updated 9 months ago
- Quantifying Pairwise Chemical Similarity for Polymers☆15Jan 23, 2024Updated 2 years ago
- AutoCorrelation of Pharmacophore Features☆15Mar 6, 2023Updated 3 years ago
- ☆12Jun 11, 2025Updated last year
- UQ4DD: Uncertainty Quantification for Drug Discovery☆19Aug 4, 2025Updated last year
- A wrapper to run xtb inside Gaussian.☆30Aug 18, 2020Updated 5 years ago
- 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 2 years ago
- 📈 scikit-learn compatible meta-learner that boosts tabular classifiers by learning from pairs of points — turns multiclass into a binary…☆23Jul 19, 2026Updated 3 weeks ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆21Mar 14, 2023Updated 3 years ago
- A database of reaction properties containing the atom-mapped reaction SMILES and the target properties.☆37Apr 11, 2024Updated 2 years ago
- CoRE-MOF as a Python package☆26Nov 21, 2024Updated last year
- Contains relevant project files to publicly available tautomer database "Tautobase"☆24Nov 8, 2022Updated 3 years ago
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆24Dec 8, 2020Updated 5 years ago
- This repository includes pKa data obtained from measurements in aqueous solutions, digitized and curated from reference books published b…☆96Jul 24, 2026Updated 2 weeks ago
- Mordred port in cpp☆57Feb 27, 2025Updated last year
- Modeling Tanimoto distributions for RDKit☆18Feb 28, 2020Updated 6 years ago
- A graph neural network for the prediction of bond dissociation energies for molecules of any charge.☆69Sep 10, 2025Updated 11 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- pythonic interface to virtual screening software☆94Sep 4, 2025Updated 11 months ago
- Downloads USPTO patents and finds molecules related to keyword queries☆75Dec 8, 2023Updated 2 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆36Jul 24, 2026Updated 2 weeks ago
- ☆15Jun 18, 2024Updated 2 years ago
- cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effe…☆34Updated this week
- Mapping properties to molecules in QM7-X☆15Aug 14, 2024Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆35Sep 4, 2024Updated last year
- A purely functional cheminformatics toolkit written in Scala☆16Jun 7, 2013Updated 13 years ago
- Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.☆14Oct 4, 2021Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Language-interfaced fine-tuning for chemistry☆46Nov 30, 2023Updated 2 years ago
- A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.☆13Jun 27, 2025Updated last year
- Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).☆14May 18, 2018Updated 8 years ago
- Functional Geometry in Prolog☆18May 17, 2020Updated 6 years ago
- Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities☆14Oct 21, 2024Updated last year
- Applying Machine Learning methodologies in search of novel MOF's and battery materials.☆14May 31, 2023Updated 3 years ago
- ☆27Mar 31, 2023Updated 3 years ago